[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl]methyl ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid [4-(2-ketopyrrolidino)benzyl] ester Formula: C27H21FN2O4 MolecularWeight: 456.465043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)COC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)COC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN2O4/c28-19-9-13-21(14-10-19)30-16-24(22-4-1-2-5-23(22)26(30)32)27(33)34-17-18-7-11-20(12-8-18)29-15-3-6-25(29)31/h1-2,4-5,7-14,16H,3,6,15,17H2