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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)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-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-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-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl ester Formula: C28H24ClFN2O4 MolecularWeight: 506.952563

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H24ClFN2O4/c1-4-23(26(33)31-18-13-14-22(30)21(29)15-18)36-28(35)25-24(17-11-9-16(2)10-12-17)19-7-5-6-8-20(19)27(34)32(25)3/h5-15,23H,4H2,1-3H3,(H,31,33)