57525050
  -OEChem-05042413182D

 42 44  0     0  0  0  0  0  0999 V2000
    5.3147   -3.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -4.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -3.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -2.4551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -2.6276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -5.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -4.3933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -3.2744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -4.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -4.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -5.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -1.5888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -1.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253   -1.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    5.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  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 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57525050

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
321

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAAABQAAAHgAQAAAADQDBmAQwAILAAACIAiFSEACCAAAgAAAIiIEIBIgIIDKAkRGEIAhglgCIiAcYiMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(4-phenylphenyl)methyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-phenylphenyl)methyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-phenylphenyl)methyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-phenylphenyl)methyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(4-phenylphenyl)methyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-phenylbenzyl)cyclopentanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21NO/c21-19(18-8-4-5-9-18)20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
HSLFTHNVVUNAHL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
279.162314293

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21NO

> <PUBCHEM_MOLECULAR_WEIGHT>
279.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.162314293

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  11  8
10  12  8
11  14  8
12  15  8
13  14  8
13  15  8
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8

$$$$