2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-1-keto-N-[3-(4-methylpiperazino)propyl]isoquinoline-4-carboxamide Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O2/c1-27-13-15-28(16-14-27)12-4-11-26-23(30)22-17-29(19-9-7-18(25)8-10-19)24(31)21-6-3-2-5-20(21)22/h2-3,5-10,17H,4,11-16H2,1H3,(H,26,30)