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

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(4-bromophenyl)carbamoyl]propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-(4-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxobutan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-[(4-bromophenyl)carbamoyl]propyl ester Formula: C28H25BrN2O4 MolecularWeight: 533.4131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25BrN2O4/c1-4-23(26(32)30-20-15-13-19(29)14-16-20)35-28(34)25-24(18-11-9-17(2)10-12-18)21-7-5-6-8-22(21)27(33)31(25)3/h5-16,23H,4H2,1-3H3,(H,30,32)