[2-(methylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(p-tolyl)-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-methylbenzyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC(=O)NC

InChI

InChI=1S/C22H23N3O3/c1-15-4-8-17(9-5-15)12-25-13-19(22(27)28-14-20(26)23-3)21(24-25)18-10-6-16(2)7-11-18/h4-11,13H,12,14H2,1-3H3,(H,23,26)