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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C25H17ClN4O3 MolecularWeight: 456.88048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C25H17ClN4O3/c26-19-12-10-17(11-13-19)24-21(15-30(29-24)20-7-2-1-3-8-20)25(32)33-16-23(31)28-22-9-5-4-6-18(22)14-27/h1-13,15H,16H2,(H,28,31)