21233489
  -OEChem-04182414582D

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    7.1962   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 23  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  4 39  1  0  0  0  0
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  5 21  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 31  1  0  0  0  0
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 10 15  2  0  0  0  0
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 11 14  2  0  0  0  0
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 16 20  2  0  0  0  0
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 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 44  1  0  0  0  0
 23 29  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21233489

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAQAAAADAjBmAQywILAAACoAyVyVACCAAAhAgAIiAEgZJgIILLAlZGEIAhglADIyAcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-acetamidophenyl)-N-phenyl-2-(2-phenylethylimino)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-acetamidophenyl)-N-phenyl-2-(2-phenylethylimino)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-acetamidophenyl)-<I>N</I>-phenyl-2-(2-phenylethylimino)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-acetamidophenyl)-N-phenyl-2-(2-phenylethylimino)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-acetamidophenyl)-N-phenyl-2-(2-phenylethylimino)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-acetamidophenyl)-2-phenethylimino-N-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O2/c1-18(28)26-22-15-9-8-14-21(22)23(24(29)27-20-12-6-3-7-13-20)25-17-16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,26,28)(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
CMQQEDAVFNQRMB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
385.17902698

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
385.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=CC=C1C(=NCCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=CC=C1C(=NCCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
70.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.17902698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  15  8
10  16  8
11  14  8
12  17  8
14  18  8
15  19  8
16  20  8
17  18  8
19  22  8
20  22  8
21  24  8
21  25  8
24  26  8
25  27  8
26  28  8
27  28  8
8  11  8
8  12  8

$$$$