
 CHEMBL3934117

 56 58  0  0  0  0  0  0  0  0999 V2000
    1.6003   -0.8213    0.5536 C   0  0  0  0  0
    1.1429    0.4180   -0.2338 C   0  0  0  0  0
   -0.2304    0.8536    0.3052 C   0  0  0  0  0
    2.2434    1.5376   -0.2460 C   0  0  0  0  0
    1.8137    2.8256   -0.9525 C   0  0  0  0  0
    2.4259    3.9429   -0.1446 C   0  0  0  0  0
    2.3962    5.0970   -0.5540 O   0  0  0  0  0
    2.9043    3.4335    1.0687 N   0  0  0  0  0
    2.5991    2.0280    1.1733 C   0  0  0  0  0
    3.5101    4.2093    2.1247 C   0  0  0  0  0
    3.9393    5.5224    1.8290 C   0  0  0  0  0
    4.5161    6.3691    2.7824 C   0  0  0  0  0
    4.6971    5.9264    4.0782 C   0  0  0  0  0
    4.3108    4.6328    4.4082 C   0  0  0  0  0
    3.7194    3.7610    3.4599 C   0  0  0  0  0
    3.4069    2.4256    4.0003 C   0  0  0  0  0
    2.5688    2.2217    5.0265 C   0  0  0  0  0
    3.5196    0.9954   -0.9506 C   0  0  0  0  0
    4.5840    0.9115   -0.3435 O   0  0  0  0  0
    3.3410    0.5913   -2.2687 N   0  0  0  0  0
    4.3086   -0.0011   -3.1176 C   0  0  0  0  0
    3.8949   -0.3915   -4.3988 C   0  0  0  0  0
    4.7864   -1.0055   -5.2989 C   0  0  0  0  0
    6.1141   -1.2230   -4.9009 C   0  0  0  0  0
    6.5507   -0.8357   -3.6278 C   0  0  0  0  0
    5.6373   -0.2263   -2.7488 C   0  0  0  0  0
    7.9757   -1.0628   -3.1787 C   0  0  0  0  0
    8.6133    0.0947   -2.8554 F   0  0  0  0  0
    8.0545   -1.8608   -2.0791 F   0  0  0  0  0
    8.7491   -1.6613   -4.1278 F   0  0  0  0  0
    4.3390   -1.4432   -6.6742 C   0  0  0  0  0
    5.0739   -0.8715   -7.6667 F   0  0  0  0  0
    4.4515   -2.7883   -6.8502 F   0  0  0  0  0
    3.0399   -1.1375   -6.9449 F   0  0  0  0  0
    2.5399   -1.2236    0.1631 H   0  0  0  0  0
    0.8537   -1.6199    0.4795 H   0  0  0  0  0
    1.7395   -0.5955    1.6157 H   0  0  0  0  0
    0.9654    0.0881   -1.2650 H   0  0  0  0  0
   -0.1763    1.2464    1.3237 H   0  0  0  0  0
   -0.9198    0.0015    0.3247 H   0  0  0  0  0
   -0.6964    1.6106   -0.3307 H   0  0  0  0  0
    0.7345    2.9898   -0.9526 H   0  0  0  0  0
    2.1749    2.9046   -1.9825 H   0  0  0  0  0
    3.4544    1.4824    1.5722 H   0  0  0  0  0
    1.7569    1.9317    1.8629 H   0  0  0  0  0
    3.8642    5.9328    0.8268 H   0  0  0  0  0
    4.8262    7.3706    2.4956 H   0  0  0  0  0
    5.1465    6.5739    4.8252 H   0  0  0  0  0
    4.4817    4.2945    5.4296 H   0  0  0  0  0
    3.9589    1.5909    3.5798 H   0  0  0  0  0
    2.0391    3.0380    5.5093 H   0  0  0  0  0
    2.4155    1.2236    5.4238 H   0  0  0  0  0
    2.4214    0.7122   -2.6744 H   0  0  0  0  0
    2.8647   -0.2291   -4.7131 H   0  0  0  0  0
    6.8122   -1.6999   -5.5914 H   0  0  0  0  0
    6.0115    0.0639   -1.7700 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 12 13  2  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 15  2  0  0  0
 14 49  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 50  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 23 24  2  0  0  0
 23 31  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 56  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 31 34  1  0  0  0
 31 33  1  0  0  0
 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3934117

>  <PubChem CID>
51034453

>  <Formula>
C24H22F6N2O2

>  <Molecular Weight>
484.442000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethenylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)C1(CC(=O)N(C1)C2=CC=CC=C2C=C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC(C)C1(CC(=O)N(C1)C2=CC=CC=C2C=C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H22F6N2O2/c1-4-15-7-5-6-8-19(15)32-13-22(14(2)3,12-20(32)33)21(34)31-18-10-16(23(25,26)27)9-17(11-18)24(28,29)30/h4-11,14H,1,12-13H2,2-3H3,(H,31,34)

>  <InChI Key>
DQHQCWRLOWJDNQ-UHFFFAOYSA-N

