70611450
  -OEChem-05042406262D

 40 41  0     0  0  0  0  0  0999 V2000
    7.9409    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    5.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643    4.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  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  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  2  0  0  0  0
  8 26  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70611450

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADAjBmgQ8wJLIEACoAjV3VACCgCAxAiAI2CE4ZJgIIHLA1dGEJAhglADIyAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
benzene;2-phenyl-N-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
benzene;2-phenyl-N-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
benzene;2-phenyl-<I>N</I>-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME>
benzene;2-phenyl-N-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
benzene;2-phenyl-N-pyridin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzene;2-phenyl-N-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N2O.C6H6/c16-13(10-11-4-2-1-3-5-11)15-12-6-8-14-9-7-12;1-2-4-6-5-3-1/h1-9H,10H2,(H,14,15,16);1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
KMKINOSVHPEVJV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
290.141913202

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)NC2=CC=NC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)NC2=CC=NC=C2

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.141913202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
13  15  8
14  16  8
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
3  15  8
3  16  8
5  7  8
5  8  8
7  10  8
8  11  8
9  13  8
9  14  8

$$$$