
 CHEMBL187503

 61 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL187503

>  <PubChem CID>
44397221

>  <Formula>
C28H27N3O3

>  <Molecular Weight>
453.542000

>  <IUPAC Name>
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-[4-(3-cyanophenyl)phenyl]acetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1NC(=O)CC2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CC4=CC5=C(C=C4)OCO5

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)CC2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CC4=CC5=C(C=C4)OCO5

>  <InChI Std. ID>
InChI=1S/C28H27N3O3/c29-17-21-2-1-3-24(14-21)23-7-4-20(5-8-23)16-28(32)30-25-10-12-31(13-11-25)18-22-6-9-26-27(15-22)34-19-33-26/h1-9,14-15,25H,10-13,16,18-19H2,(H,30,32)

>  <InChI Key>
KTUKTIFKDJOEIN-UHFFFAOYSA-N

