
 SCHEMBL3791467

 73 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3791467

>  <PubChem CID>
59636723

>  <Formula>
C31H35N5O2

>  <Molecular Weight>
509.654000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1NC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5)C6=CC=CC=C6

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C31H35N5O2/c37-31(33-26-13-17-35(18-14-26)27-9-2-1-3-10-27)29-23-24-7-6-11-28(30(24)38-29)36-21-19-34(20-22-36)16-12-25-8-4-5-15-32-25/h1-11,15,23,26H,12-14,16-22H2,(H,33,37)

>  <InChI Key>
CIHLCQQNJXQNIW-UHFFFAOYSA-N

