N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2-(2-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-1-keto-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H27ClN4O4/c1-38-26-12-5-4-11-25(26)34-19-24(22-9-2-3-10-23(22)29(34)37)28(36)31-18-27(35)33-15-13-32(14-16-33)21-8-6-7-20(30)17-21/h2-12,17,19H,13-16,18H2,1H3,(H,31,36)