60398139
  -OEChem-05082422062D

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    6.3301   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  4  6  1  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60398139

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
498

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADCjBngQ+gJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIYPrA0ZGUIAhglgDIyAcYiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-acetamido-3-phenyl-N-[phenyl(2-pyridyl)methyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-acetamido-3-phenyl-N-[phenyl(2-pyridinyl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-acetamido-3-phenyl-<I>N</I>-[phenyl(pyridin-2-yl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME>
3-acetamido-3-phenyl-N-[phenyl(pyridin-2-yl)methyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-acetamido-3-phenyl-N-[phenyl(pyridin-2-yl)methyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-acetamido-3-phenyl-N-[phenyl(2-pyridyl)methyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H23N3O2/c1-17(27)25-21(18-10-4-2-5-11-18)16-22(28)26-23(19-12-6-3-7-13-19)20-14-8-9-15-24-20/h2-15,21,23H,16H2,1H3,(H,25,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
YVUAXVWYRKZKPH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
373.17902698

> <PUBCHEM_MOLECULAR_FORMULA>
C23H23N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
373.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC(CC(=O)NC(C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC(CC(=O)NC(C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
71.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.17902698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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
11  16  8
12  18  8
13  19  8
14  20  8
15  21  8
16  22  8
18  25  8
19  23  8
20  23  8
21  24  8
22  24  8
25  28  8
27  28  8
8  3  3
5  12  8
5  27  8
6  7  3
9  13  8
9  14  8

$$$$