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

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[4-(m-tolyl)piperazino]butyl]isoquinoline-3-carboxamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)