53383141
  -OEChem-04262405542D

 56 59  0     1  0  0  0  0  0999 V2000
    5.0320   -3.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.8170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9340   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340   -1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -2.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -3.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -3.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -4.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709   -3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240   -1.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -2.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.8376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 34  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 16  1  0  0  0  0
 11 20  2  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  1  0  0  0  0
 19 44  1  0  0  0  0
 20 23  1  0  0  0  0
 20 45  1  0  0  0  0
 21 26  1  0  0  0  0
 21 46  1  0  0  0  0
 22 28  2  0  0  0  0
 22 29  1  0  0  0  0
 23 26  2  0  0  0  0
 23 47  1  0  0  0  0
 24 27  1  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  1  0  0  0  0
 29 31  2  0  0  0  0
 29 53  1  0  0  0  0
 30 32  2  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383141

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
725

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHwAQAAAADKjBmAwywIPAAACoAyVyVACCAAAhAgAIiAGodJgIYLLAlbGUIAhglgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenyl-quinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenyl-1-quinoxalinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-<I>tert</I>-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-tert-butyl-2-(2-fluorophenyl)-2-(2-keto-3-phenyl-quinoxalin-1-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24FN3O2/c1-26(2,3)29-24(31)23(18-13-7-8-14-19(18)27)30-21-16-10-9-15-20(21)28-22(25(30)32)17-11-5-4-6-12-17/h4-16,23H,1-3H3,(H,29,31)

> <PUBCHEM_IUPAC_INCHIKEY>
CJHULAXGNZAVBE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
429.18525518

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
429.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)NC(=O)C(C1=CC=CC=C1F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)NC(=O)C(C1=CC=CC=C1F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
61.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
429.18525518

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  18  8
10  19  8
11  16  8
11  20  8
15  17  8
16  21  8
18  24  8
19  25  8
20  23  8
21  26  8
22  28  8
22  29  8
23  26  8
24  27  8
25  27  8
28  30  8
29  31  8
30  32  8
31  32  8
4  11  8
4  15  8
6  16  8
6  17  8
7  9  3

$$$$