[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C26H20N4O3 MolecularWeight: 436.462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H20N4O3/c27-16-17-29(21-12-6-2-7-13-21)24(31)19-33-26(32)23-18-30(22-14-8-3-9-15-22)28-25(23)20-10-4-1-5-11-20/h1-15,18H,17,19H2