53383371
  -OEChem-05132420512D

 60 65  0     1  0  0  0  0  0999 V2000
    6.3981    0.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.9680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5011    3.9568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8000    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4730    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059    2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    3.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730    5.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9730    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -3.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9730    5.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4730    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -3.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -4.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -5.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    4.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    1.9562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.6226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -1.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219   -1.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234   -2.1396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630    5.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2830    2.7630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2830    5.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    4.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -3.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -3.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -4.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -4.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -5.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  2  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 40  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  6 43  1  0  0  0  0
  7 29  2  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 38  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  1  0  0  0  0
 13 20  2  0  0  0  0
 14 19  2  0  0  0  0
 16 24  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 41  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 29  1  0  0  0  0
 21 44  1  0  0  0  0
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 23 28  1  0  0  0  0
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 29 52  1  0  0  0  0
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 31 54  1  0  0  0  0
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 33 56  1  0  0  0  0
 34 36  2  0  0  0  0
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 35 37  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53383371

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
849

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YMECAAAAAFiB/AAAHgAQAAAADCjBngQ8wPPJkACoAzV3VACCgCAxAiAI2aG4dJgIYPrA1bGUIAhglgDIyAcYiYCOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-2-[3-(1H-indol-2-yl)-2-oxo-quinoxalin-1-yl]-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-(1H-indol-2-yl)-2-oxo-1-quinoxalinyl]-N-(phenylmethyl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-2-[3-(1<I>H</I>-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-(1H-indol-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-(phenylmethyl)-2-pyridin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-2-[3-(1H-indol-2-yl)-2-keto-quinoxalin-1-yl]-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H23N5O2/c36-29(32-19-20-8-2-1-3-9-20)28(21-14-16-31-17-15-21)35-26-13-7-6-12-24(26)34-27(30(35)37)25-18-22-10-4-5-11-23(22)33-25/h1-18,28,33H,19H2,(H,32,36)

> <PUBCHEM_IUPAC_INCHIKEY>
FAWCYSHPCPVFFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
485.18517499

> <PUBCHEM_MOLECULAR_FORMULA>
C30H23N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
485.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CNC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC6=CC=CC=C6N5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CNC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC6=CC=CC=C6N5

> <PUBCHEM_CACTVS_TPSA>
90.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
485.18517499

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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  11  8
12  21  8
12  22  8
13  20  8
14  19  8
16  24  8
17  18  8
17  26  8
18  19  8
18  27  8
20  25  8
21  29  8
22  30  8
24  25  8
26  31  8
27  32  8
28  33  8
28  34  8
3  10  8
3  9  8
31  32  8
33  35  8
34  36  8
35  37  8
36  37  8
4  11  8
4  13  8
5  14  8
5  17  8
7  29  8
7  30  8
8  15  3
9  13  8
9  16  8

$$$$