[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C25H17FN4O3 MolecularWeight: 440.425883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17FN4O3/c26-19-10-8-18(9-11-19)24-22(15-30(29-24)21-4-2-1-3-5-21)25(32)33-16-23(31)28-20-12-6-17(14-27)7-13-20/h1-13,15H,16H2,(H,28,31)