N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide CAS Name: N-[4-[4-(3-cyanophenyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[4-(3-cyanophenyl)piperazino]butyl]isoquinoline-3-carboxamide Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H27N5O/c26-18-20-6-5-9-23(16-20)30-14-12-29(13-15-30)11-4-3-10-27-25(31)24-17-21-7-1-2-8-22(21)19-28-24/h1-2,5-9,16-17,19H,3-4,10-15H2,(H,27,31)