46266255
  -OEChem-05132421262D

 57 60  0     0  0  0  0  0  0999 V2000
    5.0981   -3.9510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -5.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7981    1.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    5.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -0.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    2.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -0.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    1.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2520    4.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    6.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    5.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 30  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 19  1  0  0  0  0
  9 24  1  0  0  0  0
  9 44  1  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  0  0  0  0
 10 46  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
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 12 37  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 25  2  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 26  1  0  0  0  0
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 29 34  1  0  0  0  0
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 31 35  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
46266255

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
862

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHwAQAAAADAjBmBQywIPAAACoAyVyVACCAAAhAgAIiAGodJgIYLLAlbGUIAhglgDIyAcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[3-oxo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoxalin-2-yl]phenyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[3-oxo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinoxalinyl]phenyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[3-oxo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoxalin-2-yl]phenyl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[3-oxo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoxalin-2-yl]phenyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[3-oxidanylidene-4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]quinoxalin-2-yl]phenyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[3-keto-4-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]quinoxalin-2-yl]phenyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H21F3N4O3/c1-2-22(34)30-18-11-5-3-9-16(18)24-25(36)33(21-14-8-7-13-20(21)32-24)15-23(35)31-19-12-6-4-10-17(19)26(27,28)29/h3-14H,2,15H2,1H3,(H,30,34)(H,31,35)

> <PUBCHEM_IUPAC_INCHIKEY>
UTNAKTMNTWSSLO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
494.15657503

> <PUBCHEM_MOLECULAR_FORMULA>
C26H21F3N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
494.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
90.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
494.15657503

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
11  17  8
13  14  8
15  20  8
16  18  8
16  21  8
17  22  8
18  25  8
20  23  8
21  26  8
22  23  8
24  27  8
24  29  8
25  28  8
26  28  8
27  31  8
29  34  8
31  35  8
34  35  8
7  11  8
7  14  8
8  13  8
8  15  8

$$$$