
 SCHEMBL1704164

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1704164

>  <PubChem CID>
15984186

>  <Formula>
C26H33F3N4O

>  <Molecular Weight>
474.572000

>  <IUPAC Name>
2-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-1-[4-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC=CC(=C4)C(F)(F)F

>  <Isomeric SMILES>
C[C@@H]1CN(CCN1)CC2=CC=C(C=C2)CC(=O)N3CCC(CC3)NC4=CC=CC(=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H33F3N4O/c1-19-17-32(14-11-30-19)18-21-7-5-20(6-8-21)15-25(34)33-12-9-23(10-13-33)31-24-4-2-3-22(16-24)26(27,28)29/h2-8,16,19,23,30-31H,9-15,17-18H2,1H3/t19-/m1/s1

>  <InChI Key>
DNXDIZDCMLZGSW-LJQANCHMSA-N

