45267820
  -OEChem-05112405082D

 55 58  0     0  0  0  0  0  0999 V2000
    9.4706   -0.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636   -1.1370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695   -1.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8307   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6569   -2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385   -0.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6354   -1.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789   -1.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   -1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045   -0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463   -2.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3033   -2.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -2.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    0.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0141   -3.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926   -3.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    2.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    3.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -0.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132   -0.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -2.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1352   -2.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7577   -1.1327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284   -1.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2312    0.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966    1.1852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0178    0.4506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396   -3.0784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100   -2.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -3.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5505   -2.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215   -4.2842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4067   -3.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    0.8849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669   -1.8107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -2.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331   -3.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    2.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573    0.0403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573    3.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2245    3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    4.3149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9845    3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    0.8620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    2.5278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  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 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 15  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 17  1  0  0  0  0
 12 38  1  0  0  0  0
 13 18  1  0  0  0  0
 13 39  1  0  0  0  0
 14 22  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 19 25  2  0  0  0  0
 20 23  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 26  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45267820

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
531

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAAAAAADAzBngQywPMMEACoA6RyRACCgCAlAiAI2CE4ZNgIIPrAlZGEIYhggADIyccciMCOwAACAAASAACAAAQAACQAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

> <PUBCHEM_IUPAC_NAME>
(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-amyl-2-methyl-indol-3-yl)-(4-methyl-1-naphthyl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27NO/c1-4-5-10-17-27-19(3)25(23-13-8-9-14-24(23)27)26(28)22-16-15-18(2)20-11-6-7-12-21(20)22/h6-9,11-16H,4-5,10,17H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
JTJAMXUOXJGSCW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.1

> <PUBCHEM_EXACT_MASS>
369.209264485

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27NO

> <PUBCHEM_MOLECULAR_WEIGHT>
369.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C)C

> <PUBCHEM_CACTVS_TPSA>
22

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
369.209264485

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  17  8
13  18  8
15  16  8
15  20  8
16  19  8
16  24  8
17  18  8
19  21  8
19  25  8
2  4  8
2  5  8
20  23  8
21  23  8
24  27  8
25  28  8
27  28  8
4  6  8
5  12  8
5  7  8
6  7  8
7  13  8

$$$$