7187744
  -OEChem-05221316502D

 34 36  0     0  0  0  0  0  0999 V2000
    6.3301    2.8770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.2430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.5110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -2.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -3.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -2.4559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 14  2  0  0  0  0
  5 23  2  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 27  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7187744

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
547

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADAiBmBAwwILAAACoAyVyVACCAAAhAgAIiAEgdJgIYLLAlZGUIAhglADIyAcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,2-trifluoro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,2-trifluoro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2,2,2-trifluoro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,2-tris(fluoranyl)-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,2-trifluoro-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10F3N3O2/c17-16(18,19)15(24)22-10-6-2-1-5-9(10)13-14(23)21-12-8-4-3-7-11(12)20-13/h1-8H,(H,21,23)(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
SZOIASZFGSLHMF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
333.072511

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10F3N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
333.26471

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
70.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.072511

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  16  8
12  13  8
12  17  8
13  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  20  8
21  22  8
6  12  8
6  14  8
7  10  8
7  13  8
9  11  8
9  15  8

$$$$