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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-1-keto-6,7-dimethoxy-2-methyl-isoquinoline-4-carboxamide Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O4/c1-29-17-22(20-15-23(34-2)24(35-3)16-21(20)26(29)33)25(32)28-8-5-9-30-10-12-31(13-11-30)19-7-4-6-18(27)14-19/h4,6-7,14-17H,5,8-13H2,1-3H3,(H,28,32)