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

Systemtic Name: [1-[(3-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-[(3-methyl-2-pyridyl)amino]-2-oxo-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-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] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-[(3-methyl-2-pyridyl)amino]ethyl] ester Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O4/c1-15-7-6-14-28-23(15)29-24(31)16(2)34-26(33)22-21(17-10-12-18(27)13-11-17)19-8-4-5-9-20(19)25(32)30(22)3/h4-14,16H,1-3H3,(H,28,29,31)