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

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(3-chlorophenyl)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-(3-chloroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-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-[(3-chlorophenyl)carbamoyl]propyl ester Formula: C27H22Cl2N2O4 MolecularWeight: 509.38058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22Cl2N2O4/c1-3-22(25(32)30-19-8-6-7-18(29)15-19)35-27(34)24-23(16-11-13-17(28)14-12-16)20-9-4-5-10-21(20)26(33)31(24)2/h4-15,22H,3H2,1-2H3,(H,30,32)