1023335
  -OEChem-04262415452D

 53 55  0     0  0  0  0  0  0999 V2000
    7.9282    2.7306    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7306    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    2.7306    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    3.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.2055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.2055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    3.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965    4.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    4.7710    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 20  2  0  0  0  0
  5 29  1  0  0  0  0
  5 32  1  0  0  0  0
  6 22  2  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 35  1  0  0  0  0
  8 17  1  0  0  0  0
  8 22  1  0  0  0  0
  8 41  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 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 18  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 13 22  1  0  0  0  0
 14 21  1  0  0  0  0
 14 27  1  0  0  0  0
 15 24  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  2  3  0  0  0
 18 25  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 21 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1023335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
695

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHwAQAAAADAzhmBYyBILABECIAq1S0ACCCAAkIgAIiIGODMgMZjKEtTuWOSjkxhGIqceYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-furyl)-1-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]vinyl]-3,4-dimethyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(2-furanyl)-3-oxo-3-[[2-(trifluoromethyl)phenyl]methylamino]prop-1-en-2-yl]-3,4-dimethylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(furan-2-yl)-3-oxo-3-[[2-(trifluoromethyl)phenyl]methylamino]prop-1-en-2-yl]-3,4-dimethylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(furan-2-yl)-3-oxo-3-[[2-(trifluoromethyl)phenyl]methylamino]prop-1-en-2-yl]-3,4-dimethylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(furan-2-yl)-3-oxidanylidene-3-[[2-(trifluoromethyl)phenyl]methylamino]prop-1-en-2-yl]-3,4-dimethyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-furyl)-1-[[2-(trifluoromethyl)benzyl]carbamoyl]vinyl]-3,4-dimethyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21F3N2O3/c1-15-9-10-17(12-16(15)2)22(30)29-21(13-19-7-5-11-32-19)23(31)28-14-18-6-3-4-8-20(18)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,31)(H,29,30)

> <PUBCHEM_IUPAC_INCHIKEY>
SZYGTETXSNZVHG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
442.15042702

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21F3N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
442.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCC3=CC=CC=C3C(F)(F)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCC3=CC=CC=C3C(F)(F)F)C

> <PUBCHEM_CACTVS_TPSA>
71.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
442.15042702

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  18  8
12  14  8
12  16  8
13  16  8
13  19  8
14  21  8
15  24  8
17  28  1
18  25  8
19  21  8
24  25  8
29  30  8
30  31  8
31  32  8
5  29  8
5  32  8
9  11  8
9  15  8

$$$$