42628318
  -OEChem-04262412142D

 49 50  0     1  0  0  0  0  0999 V2000
    9.0622    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7321    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0981    1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730    1.1995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730    1.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -3.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -1.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781   -1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 35  1  0  0  0  0
  7 18  1  0  0  0  0
  7 36  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  1  0  0  0  0
 24 47  1  0  0  0  0
 26 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
42628318

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
481

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAcAAAADEyBmBQywIJyAACIAiVSUAKCAAAgAgA6qAFIbIgKJjKAlZGAMABk0AEIyAeYyOCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N',N'-dimethyl-2-phenyl-2-[2-(trifluoromethyl)anilino]oxy-butanehydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N',N'-dimethyl-2-phenyl-2-[2-(trifluoromethyl)anilino]oxybutanehydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;,<I>N</I>&apos;-dimethyl-2-phenyl-2-[2-(trifluoromethyl)anilino]oxybutanehydrazide

> <PUBCHEM_IUPAC_NAME>
N',N'-dimethyl-2-phenyl-2-[2-(trifluoromethyl)anilino]oxybutanehydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N',N'-dimethyl-2-phenyl-2-[[2-(trifluoromethyl)phenyl]amino]oxy-butanehydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N',N'-dimethyl-2-phenyl-2-[2-(trifluoromethyl)anilino]oxy-butyrohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22F3N3O2/c1-4-18(17(26)23-25(2)3,14-10-6-5-7-11-14)27-24-16-13-9-8-12-15(16)19(20,21)22/h5-13,24H,4H2,1-3H3,(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
YLGKARHVSZXTQV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
381.16641144

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22F3N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C1=CC=CC=C1)(C(=O)NN(C)C)ONC2=CC=CC=C2C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C1=CC=CC=C1)(C(=O)NN(C)C)ONC2=CC=CC=C2C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
53.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.16641144

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
11  14  8
11  15  8
14  16  8
15  17  8
16  19  8
17  19  8
18  20  8
18  21  8
20  24  8
21  26  8
24  27  8
26  27  8
9  10  3

$$$$