[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-[(2-methyl-4-quinolyl)amino]-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 [1-[(2-methyl-4-quinolinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-[(2-methyl-4-quinolyl)amino]ethyl] ester Formula: C31H27N3O4 MolecularWeight: 505.56378

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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)OC(C)C(=O)NC4=CC(=NC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=NC5=CC=CC=C54)C

InChI

InChI=1S/C31H27N3O4/c1-18-13-15-21(16-14-18)27-22-9-5-6-10-23(22)30(36)34(4)28(27)31(37)38-20(3)29(35)33-26-17-19(2)32-25-12-8-7-11-24(25)26/h5-17,20H,1-4H3,(H,32,33,35)