9840708
  -OEChem-04252416572D

 35 36  0     0  0  0  0  0  0999 V2000
    3.8448   -2.6354    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4787   -2.2694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448   -0.9034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8369    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    1.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -3.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8858    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5279    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968    3.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768    4.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    3.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7195    2.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1175    3.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3363    3.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5463    3.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182    4.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798   -1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  2  0  0  0  0
  5 14  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8 22  3  0  0  0  0
  9 24  3  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 22  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9840708

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
655

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHwAAAAAADIjBmBQzwIMAAACYBiVSUACiAAAhAgAIiAGIZIiI4CLAkbGUIAhohyLIyC8QgIAOiAAAQAAQAAAQAACAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[3-(cyanomethyl)-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
4-[3-(cyanomethyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[3-(cyanomethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

> <PUBCHEM_IUPAC_NAME>
4-[3-(cyanomethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[3-(cyanomethyl)-4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[3-(cyanomethyl)-2,5-diketo-4,4-dimethyl-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11F3N4O2/c1-14(2)12(23)22(13(24)21(14)6-5-19)10-4-3-9(8-20)11(7-10)15(16,17)18/h3-4,7H,6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZVWXHSNUBLIKJH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
336.08341009

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11F3N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
336.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(=O)N(C(=O)N1CC#N)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(=O)N(C(=O)N1CC#N)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

> <PUBCHEM_CACTVS_TPSA>
88.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.08341009

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8

$$$$