(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3/c1-18-12-14-19(15-13-18)24-22(16-28(27-24)21-10-6-3-7-11-21)25(30)31-17-23(29)26-20-8-4-2-5-9-20/h2-16H,17H2,1H3,(H,26,29)