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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-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-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl ester Formula: C27H22ClFN2O4 MolecularWeight: 492.925983

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClFN2O4/c1-3-22(25(32)30-17-13-14-21(29)20(28)15-17)35-27(34)24-23(16-9-5-4-6-10-16)18-11-7-8-12-19(18)26(33)31(24)2/h4-15,22H,3H2,1-2H3,(H,30,32)