10382701
 OpenBabel05082101102D

 49 52  0  0  0  0  0  0  0  0999 V2000
    9.0965   -0.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896   -0.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954   -0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2829   -1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3645   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4567    0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942    1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9723   -2.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2305    0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9293   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2305    1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0965    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186   -3.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0965    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3645    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9905    1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2305    3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3645    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9905    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8965    1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8965    2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934   -0.6943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    0.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508    0.9872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3288    0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956    0.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388   -0.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962    1.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530    2.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3656   -2.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5359   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4475   -3.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0327   -3.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669    2.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836    1.5664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331    0.8831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8275    1.3676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833    0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2305    3.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8275    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833    3.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4323    1.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4323    3.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  9  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 18  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  2  0  0  0  0
 15 38  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 22  1  0  0  0  0
 19 24  2  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 25  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10382701

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
475

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAAAAAADAzBngQ+wPMMEACoA7R3RACCgCA1AiAI2CE4ZNgIIPrAlZGEIYhggADIyccciMCOgAACAAASAAAAAAQAACQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-naphthyl-(1-pentylindol-3-yl)methanone

>  <PUBCHEM_IUPAC_CAS_NAME>
1-naphthalenyl-(1-pentyl-3-indolyl)methanone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
naphthalen-1-yl-(1-pentylindol-3-yl)methanone

>  <PUBCHEM_IUPAC_NAME>
naphthalen-1-yl-(1-pentylindol-3-yl)methanone

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
naphthalen-1-yl-(1-pentylindol-3-yl)methanone

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-amylindol-3-yl)-(1-naphthyl)methanone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
JDNLPKCAXICMBW-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
6.3

>  <PUBCHEM_EXACT_MASS>
341.177964

>  <PUBCHEM_MOLECULAR_FORMULA>
C24H23NO

>  <PUBCHEM_MOLECULAR_WEIGHT>
341.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

>  <PUBCHEM_CACTVS_TPSA>
22

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.177964

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
26

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
11  15  8
13  17  8
14  16  8
14  20  8
15  17  8
16  19  8
16  21  8
19  22  8
19  24  8
2  5  8
2  8  8
20  23  8
21  25  8
22  23  8
24  26  8
25  26  8
5  11  8
5  6  8
6  13  8
6  7  8
7  8  8

$$$$
