N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C29H37ClN4O4 MolecularWeight: 541.08148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H37ClN4O4/c1-20(2)18-34-19-25(23-16-26(37-3)27(38-4)17-24(23)29(34)36)28(35)31-9-6-10-32-11-13-33(14-12-32)22-8-5-7-21(30)15-22/h5,7-8,15-17,19-20H,6,9-14,18H2,1-4H3,(H,31,35)