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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCCC#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCCC#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H24N4O3/c1-17-9-10-20(13-18(17)2)23-21(24(30)31-16-22(29)26-12-6-11-25)15-28(27-23)14-19-7-4-3-5-8-19/h3-5,7-10,13,15H,6,12,14,16H2,1-2H3,(H,26,29)