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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-benzoylanilino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-benzoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylanilino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(2-benzoylanilino)-2-keto-ethyl] ester Formula: C26H21N3O4 MolecularWeight: 439.46264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4/c30-24(28-23-14-8-7-13-22(23)25(31)20-11-5-2-6-12-20)18-33-26(32)21-15-27-29(17-21)16-19-9-3-1-4-10-19/h1-15,17H,16,18H2,(H,28,30)