[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C26H21FN2O4 MolecularWeight: 444.454343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN2O4/c1-29-24(26(32)33-16-22(30)28-15-17-11-13-19(27)14-12-17)23(18-7-3-2-4-8-18)20-9-5-6-10-21(20)25(29)31/h2-14H,15-16H2,1H3,(H,28,30)