53383123
  -OEChem-04232411002D

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    5.4641    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53383123

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
815

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAHwAQAAAADCjBmAwywIPAAACoAyVyVACCAAAhAgAIiAGodJgIYLLAlbGUIAhglgDIyAcYiMCOAAACAAACACAAAAQAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)-2-(2-oxo-3-phenyl-quinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)-2-(2-oxo-3-phenyl-1-quinoxalinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,6-dimethylphenyl)-2-(2-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)-2-(2-keto-3-phenyl-quinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H24FN3O2/c1-19-11-10-12-20(2)26(19)33-29(35)28(22-15-6-7-16-23(22)31)34-25-18-9-8-17-24(25)32-27(30(34)36)21-13-4-3-5-14-21/h3-18,28H,1-2H3,(H,33,35)

> <PUBCHEM_IUPAC_INCHIKEY>
ILUYDASZKXXWAP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
477.18525518

> <PUBCHEM_MOLECULAR_FORMULA>
C30H24FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
477.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
61.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
477.18525518

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
11  13  8
12  18  8
14  22  8
15  20  8
15  21  8
16  24  8
17  25  8
18  23  8
19  29  8
19  30  8
20  27  8
21  28  8
22  23  8
24  26  8
25  26  8
27  33  8
28  33  8
29  34  8
30  35  8
34  36  8
35  36  8
4  11  8
4  8  8
6  12  8
6  13  8
7  10  3
8  12  8
8  14  8
9  16  8
9  17  8

$$$$