[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H20FN3O3 MolecularWeight: 429.443003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O3/c26-21-11-13-22(14-12-21)28-24(30)23(19-9-5-2-6-10-19)32-25(31)20-15-27-29(17-20)16-18-7-3-1-4-8-18/h1-15,17,23H,16H2,(H,28,30)