N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-1-keto-6,7-dimethoxy-2-methyl-isoquinoline-4-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-24-12-17(20(25)23-9-8-13-4-6-14(22)7-5-13)15-10-18(27-2)19(28-3)11-16(15)21(24)26/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)