[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-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] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3/c1-15-10-16(2)21(17(3)11-15)25-22(27)18(4)29-23(28)20-12-24-26(14-20)13-19-8-6-5-7-9-19/h5-12,14,18H,13H2,1-4H3,(H,25,27)