[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H27N3O3/c1-18-15-19(2)26(20(3)16-18)29-27(32)21(4)34-28(33)25-17-24(22-11-7-5-8-12-22)30-31(25)23-13-9-6-10-14-23/h5-17,21H,1-4H3,(H,29,32)