[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C27H25N3O3/c1-18-13-15-22(16-14-18)30-17-23(25(29-30)21-10-5-4-6-11-21)27(32)33-20(3)26(31)28-24-12-8-7-9-19(24)2/h4-17,20H,1-3H3,(H,28,31)