
 CHEMBL3941102

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3941102

>  <PubChem CID>
134146185

>  <Formula>
C28H31F3N4O2

>  <Molecular Weight>
512.577000

>  <IUPAC Name>
3-[2-[4-(2-phenylpyridin-3-yl)piperazin-1-yl]ethoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCN1CCOCCC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C3=C(N=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCOCCC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C3=C(N=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H31F3N4O2/c29-28(30,31)24-10-8-22(9-11-24)21-33-26(36)12-19-37-20-18-34-14-16-35(17-15-34)25-7-4-13-32-27(25)23-5-2-1-3-6-23/h1-11,13H,12,14-21H2,(H,33,36)

>  <InChI Key>
ADWCVCJMIQYGTM-UHFFFAOYSA-N

