10360860
  -OEChem-04262408492D

 52 55  0     0  0  0  0  0  0999 V2000
    9.4706   -0.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636   -0.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695   -0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8307    0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6569   -1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6354   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789   -1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463   -2.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3033   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0141   -3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926   -3.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    0.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132   -0.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -1.9488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1352   -1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7577   -0.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284   -0.9717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2312    1.1890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966    1.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0178    0.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396   -2.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -2.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5505   -2.3261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215   -3.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4067   -3.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669   -1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -1.8775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331   -2.5608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    1.3676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573    0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    3.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573    3.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    1.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    3.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 14  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 13 17  1  0  0  0  0
 13 38  1  0  0  0  0
 14 19  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 23  1  0  0  0  0
 20 25  2  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 26  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10360860

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
503

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAAAAAADAzBngQywPMMEACoA6RyRACCgCAlAiAI2CE4ZNgIIPrAlZGEIYhggADIyccciMCOgAACAAASAAAAAAQAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-methyl-1-pentyl-indol-3-yl)-(1-naphthyl)methanone

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

> <PUBCHEM_IUPAC_NAME>
(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-methyl-1-pentyl-indol-3-yl)-naphthalen-1-yl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-amyl-2-methyl-indol-3-yl)-(1-naphthyl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
IBBNKINXTRKICJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
355.193614421

> <PUBCHEM_MOLECULAR_FORMULA>
C25H25NO

> <PUBCHEM_MOLECULAR_WEIGHT>
355.5

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

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

> <PUBCHEM_CACTVS_TPSA>
22

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.193614421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
12  16  8
13  17  8
15  18  8
15  21  8
16  17  8
18  20  8
18  22  8
2  4  8
2  5  8
20  23  8
20  25  8
21  24  8
22  26  8
23  24  8
25  27  8
26  27  8
4  6  8
5  12  8
5  7  8
6  7  8
7  13  8

$$$$