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

Systemtic Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide trihydrochloride Openeye Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide trihydrochloride CAS Name: N-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide trihydrochloride IUPAC Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide trihydrochloride Traditional Name: N-[4-[4-(3-chlorophenyl)piperazino]butyl]isoquinoline-3-carboxamide trihydrochloride Formula: C24H30Cl4N4O MolecularWeight: 532.3332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC(=CC=C4)Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC(=CC=C4)Cl.Cl.Cl.Cl

InChI

InChI=1S/C24H27ClN4O.3ClH/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23;;;/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30);3*1H