[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C)C

InChI

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