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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 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-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C26H20ClFN2O4 MolecularWeight: 478.899403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C26H20ClFN2O4/c1-15(24(31)29-17-12-13-21(28)20(27)14-17)34-26(33)23-22(16-8-4-3-5-9-16)18-10-6-7-11-19(18)25(32)30(23)2/h3-15H,1-2H3,(H,29,31)