23354352
  -OEChem-05112421092D

 33 35  0     0  0  0  0  0  0999 V2000
    3.5981   -1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.6016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.4677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    0.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862   -1.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -0.1559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860   -2.5805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921   -1.7759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  7 17  2  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 22 30  1  0  0  0  0
 23 25  2  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23354352

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
550

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IcAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADAiBmBAwwILAAACoAyVyVACCAAAhAgAIiAEgdJgIYLLAlZGUIAhglADIyAcYiMCOCAACQAACACAQAASAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-phenyl-5,7-bis(trifluoromethyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-phenyl-5,7-bis(trifluoromethyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-phenyl-5,7-bis(trifluoromethyl)-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-phenyl-5,7-bis(trifluoromethyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-phenyl-5,7-bis(trifluoromethyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-phenyl-5,7-bis(trifluoromethyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H8F6N2O/c17-15(18,19)9-6-10(16(20,21)22)13-11(7-9)23-14(25)12(24-13)8-4-2-1-3-5-8/h1-7H,(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
LXHBUXROTPFROV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
358.05408186

> <PUBCHEM_MOLECULAR_FORMULA>
C16H8F6N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
358.24

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

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

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.05408186

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
10  11  8
10  12  8
11  14  8
12  15  8
13  14  8
13  15  8
16  17  8
19  21  8
19  22  8
21  23  8
22  24  8
23  25  8
24  25  8
8  11  8
8  17  8
9  10  8
9  16  8

$$$$