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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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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)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C24H24N4O3/c1-17-4-8-19(9-5-17)14-28-15-21(23(27-28)20-10-6-18(2)7-11-20)24(30)31-16-22(29)26-13-3-12-25/h4-11,15H,3,13-14,16H2,1-2H3,(H,26,29)