[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NC4CC4

InChI

InChI=1S/C23H22N2O4/c1-14-7-9-15(10-8-14)20-17-5-3-4-6-18(17)22(27)25(2)21(20)23(28)29-13-19(26)24-16-11-12-16/h3-10,16H,11-13H2,1-2H3,(H,24,26)