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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C22H19FN4O3 MolecularWeight: 406.409663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN4O3/c1-15-3-5-16(6-4-15)21-19(22(29)30-14-20(28)25-12-2-11-24)13-27(26-21)18-9-7-17(23)8-10-18/h3-10,13H,2,12,14H2,1H3,(H,25,28)