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

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(5-chloro-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-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-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-chloro-2-pyridyl)carbamoyl]propyl ester Formula: C26H21Cl2N3O4 MolecularWeight: 510.36864

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H21Cl2N3O4/c1-3-20(24(32)30-21-13-12-17(28)14-29-21)35-26(34)23-22(15-8-10-16(27)11-9-15)18-6-4-5-7-19(18)25(33)31(23)2/h4-14,20H,3H2,1-2H3,(H,29,30,32)