
 CHEMBL186795

 70 73  0  0  0  0  0  0  0  0999 V2000
    1.4218    2.5859   -1.9484 C   0  0  0  0  0
    1.3847    1.6292   -0.8460 N   0  0  0  0  0
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    3.7088    0.9642    6.1913 H   0  0  0  0  0
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    3.2732   -1.0766    2.7876 H   0  0  0  0  0
    6.1391   -1.1461    3.8289 H   0  0  0  0  0
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    2.5245   -3.0795    6.1234 H   0  0  0  0  0
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    1.2023    0.4693    4.0503 H   0  0  0  0  0
    5.2349   -1.2578    5.8316 H   0  0  0  0  0
    6.5708    1.8669   -1.4060 H   0  0  0  0  0
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    2.4256    3.3031    1.3595 H   0  0  0  0  0
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  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL186795

>  <PubChem CID>
10052051

>  <Formula>
C30H33F3N2O2

>  <Molecular Weight>
510.601000

>  <IUPAC Name>
4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC(=CC=C2)C(F)(F)F)O)(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC(=CC=C2)C(F)(F)F)O)(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H33F3N2O2/c1-34(2)27(36)29(23-10-5-3-6-11-23,24-12-7-4-8-13-24)18-21-35-19-16-28(37,17-20-35)25-14-9-15-26(22-25)30(31,32)33/h3-15,22,37H,16-21H2,1-2H3

>  <InChI Key>
DAINDKBEXIHNNO-UHFFFAOYSA-N

