[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(4-isopropylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 3-p-cumenyl-1-phenyl-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:

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

Isomeric SMILES

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

InChI

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