[1-[(5-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(5-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(5-methyl-2-pyridyl)carbamoyl]propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-[(5-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methylpyridin-2-yl)amino]-1-oxobutan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-[(5-methyl-2-pyridyl)carbamoyl]propyl ester Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3O4/c1-4-21(25(32)30-22-14-9-16(2)15-29-22)35-27(34)24-23(17-10-12-18(28)13-11-17)19-7-5-6-8-20(19)26(33)31(24)3/h5-15,21H,4H2,1-3H3,(H,29,30,32)