[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C31H26N4O3 MolecularWeight: 502.56314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N4O3/c1-21-15-16-22(2)27(18-21)33-30(36)29(23-10-5-3-6-11-23)38-31(37)26-20-35(25-13-7-4-8-14-25)34-28(26)24-12-9-17-32-19-24/h3-20,29H,1-2H3,(H,33,36)