
 SCHEMBL932078

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M  END

>  <Chemical Name>
SCHEMBL932078

>  <PubChem CID>
59636741

>  <Formula>
C28H27N5O2

>  <Molecular Weight>
465.557000

>  <IUPAC Name>
N-[(3-cyanophenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCC2=CC=CC=N2)C3=CC=CC4=C3OC(=C4)C(=O)NCC5=CC=CC(=C5)C#N

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CC=CC=N2)C3=CC=CC4=C3OC(=C4)C(=O)NCC5=CC=CC(=C5)C#N

>  <InChI Std. ID>
InChI=1S/C28H27N5O2/c29-19-21-5-3-6-22(17-21)20-31-28(34)26-18-23-7-4-9-25(27(23)35-26)33-15-13-32(14-16-33)12-10-24-8-1-2-11-30-24/h1-9,11,17-18H,10,12-16,20H2,(H,31,34)

>  <InChI Key>
GGYONIYRPREPSV-UHFFFAOYSA-N

