53383145
  -OEChem-05112400412D

 57 61  0     1  0  0  0  0  0999 V2000
    8.0622    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702    0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702    3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    0.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    3.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    1.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    2.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 13  2  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  6 41  1  0  0  0  0
  7 23  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 36  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 29  1  0  0  0  0
 25 46  1  0  0  0  0
 26 30  2  0  0  0  0
 26 47  1  0  0  0  0
 27 32  1  0  0  0  0
 27 48  1  0  0  0  0
 28 33  2  0  0  0  0
 28 49  1  0  0  0  0
 29 31  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 34  2  0  0  0  0
 32 53  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 56  1  0  0  0  0
 35 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383145

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
766

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACB1AAAHgAQAAAADCzBmgY+xpPIFACoAzV3VACCiCAxIiAI2CG+fJgMZvLEtbuUMChk1hHI6Ae4yYCOAEAAAAAAACAAgAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-methoxyphenyl)-2-(2-oxo-3-phenyl-quinoxalin-1-yl)-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-methoxyphenyl)-2-(2-oxo-3-phenyl-1-quinoxalinyl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-methoxyphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME>
N-(4-methoxyphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-methoxyphenyl)-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)-2-pyridin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-keto-3-phenyl-quinoxalin-1-yl)-N-(4-methoxyphenyl)-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H22N4O3/c1-35-22-13-11-21(12-14-22)30-27(33)26(20-15-17-29-18-16-20)32-24-10-6-5-9-23(24)31-25(28(32)34)19-7-3-2-4-8-19/h2-18,26H,1H3,(H,30,33)

> <PUBCHEM_IUPAC_INCHIKEY>
XEESFZGIBBLULU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
462.16919058

> <PUBCHEM_MOLECULAR_FORMULA>
C28H22N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
462.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
462.16919058

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  18  8
10  19  8
11  14  8
12  16  8
15  20  8
16  21  8
17  25  8
17  26  8
18  23  8
19  24  8
20  21  8
22  27  8
22  28  8
25  29  8
26  30  8
27  32  8
28  33  8
29  31  8
30  31  8
32  34  8
33  34  8
4  11  8
4  9  8
5  12  8
5  14  8
7  23  8
7  24  8
8  13  3
9  12  8
9  15  8

$$$$