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

Systemtic Name: [1-[(3-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-[(3-methyl-2-pyridyl)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-[(3-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methylpyridin-2-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-[(3-methyl-2-pyridyl)amino]ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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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=C(C=CC=N4)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=C(C=CC=N4)C

InChI

InChI=1S/C27H25N3O4/c1-16-11-13-19(14-12-16)22-20-9-5-6-10-21(20)26(32)30(4)23(22)27(33)34-18(3)25(31)29-24-17(2)8-7-15-28-24/h5-15,18H,1-4H3,(H,28,29,31)