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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(3-chloro-2-methyl-phenyl)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-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-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-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C28H24Cl2N2O4 MolecularWeight: 523.40716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24Cl2N2O4/c1-4-23(26(33)31-22-11-7-10-21(30)16(22)2)36-28(35)25-24(17-12-14-18(29)15-13-17)19-8-5-6-9-20(19)27(34)32(25)3/h5-15,23H,4H2,1-3H3,(H,31,33)