53383346
  -OEChem-05102423522D

 56 59  0     1  0  0  0  0  0999 V2000
    7.6301   -3.5342    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.1682    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6301   -1.8022    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    3.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6682    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9340   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -3.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -3.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340   -1.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116    1.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4808    3.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -2.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -2.6313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -3.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -3.7051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -3.8442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -4.0712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709   -3.2242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240   -1.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -2.1122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.8582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.9864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.4989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4405    1.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974    2.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7329    4.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
  4 12  2  0  0  0  0
  5 18  2  0  0  0  0
  6 28  1  0  0  0  0
  6 34  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 36  1  0  0  0  0
  9 19  1  0  0  0  0
  9 22  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 23  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 22  1  0  0  0  0
 19 27  2  0  0  0  0
 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 21 25  2  0  0  0  0
 21 47  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  2  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 31  1  0  0  0  0
 27 30  1  0  0  0  0
 27 51  1  0  0  0  0
 28 32  2  0  0  0  0
 29 30  2  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 34  2  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383346

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
800

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHwAQAAAADKzhmBYyxIPABECoA61y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6YeYyMCOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H22F3N3O3/c1-24(2,3)30-22(32)21(15-10-12-16(13-11-15)25(26,27)28)31-18-8-5-4-7-17(18)29-20(23(31)33)19-9-6-14-34-19/h4-14,21H,1-3H3,(H,30,32)

> <PUBCHEM_IUPAC_INCHIKEY>
IFTJIWHKNVZBED-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
469.16132606

> <PUBCHEM_MOLECULAR_FORMULA>
C25H22F3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
469.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
469.16132606

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  12  3
13  20  8
13  21  8
14  19  8
14  23  8
18  22  8
19  27  8
20  24  8
21  25  8
23  29  8
24  26  8
25  26  8
27  30  8
28  32  8
29  30  8
32  33  8
33  34  8
6  28  8
6  34  8
7  14  8
7  18  8
9  19  8
9  22  8

$$$$