
 CHEMBL3894679

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

>  <Chemical Name>
CHEMBL3894679

>  <PubChem CID>
134137332

>  <Formula>
C28H30F4N4O2

>  <Molecular Weight>
530.568000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CN(CCN1CCOCCC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=N3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCN1CCOCCC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=N3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C28H30F4N4O2/c29-24-9-5-22(6-10-24)25-2-1-12-33-27(25)36-15-13-35(14-16-36)17-19-38-18-11-26(37)34-20-21-3-7-23(8-4-21)28(30,31)32/h1-10,12H,11,13-20H2,(H,34,37)

>  <InChI Key>
AOLMBJPDPWHRDR-UHFFFAOYSA-N

