53383335
  -OEChem-04192404232D

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    7.1962    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    3.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.3512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.3301    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1097    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3426   -3.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5310    4.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 33  1  0  0  0  0
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  8 16  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
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 16 18  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53383335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
834

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB0AAAHwAQAAAADCzhmBYwxIPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeYyMCOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-[4-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H24F3N3O3/c28-27(29,30)18-14-12-17(13-15-18)24(25(34)31-19-7-2-1-3-8-19)33-21-10-5-4-9-20(21)32-23(26(33)35)22-11-6-16-36-22/h4-6,9-16,19,24H,1-3,7-8H2,(H,31,34)

> <PUBCHEM_IUPAC_INCHIKEY>
ZVNBKRSIBPQFAJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
495.17697612

> <PUBCHEM_MOLECULAR_FORMULA>
C27H24F3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
495.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)C(F)(F)F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)C(F)(F)F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
495.17697612

> <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>
16  17  3
18  21  8
18  22  8
19  23  8
19  25  8
20  24  8
21  26  8
22  27  8
23  29  8
25  31  8
26  28  8
27  28  8
29  32  8
30  34  8
31  32  8
34  35  8
35  36  8
6  30  8
6  36  8
8  19  8
8  20  8
9  23  8
9  24  8

$$$$