(4-pyrazol-1-ylphenyl)methyl 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-fluorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-fluorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H16FN3O4 MolecularWeight: 441.410643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H16FN3O4/c26-18-5-9-20(10-6-18)29-23(30)21-11-4-17(14-22(21)24(29)31)25(32)33-15-16-2-7-19(8-3-16)28-13-1-12-27-28/h1-14H,15H2