(2-oxidanylidene-2-phenylazanyl-ethyl) 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (2-anilino-2-keto-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)C)C(=O)OCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)NC3=CC=CC=C3)C

InChI

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