[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H18N4O3/c26-16-18-8-7-11-20(14-18)27-24(30)17-32-25(31)23-15-22(19-9-3-1-4-10-19)28-29(23)21-12-5-2-6-13-21/h1-15H,17H2,(H,27,30)