[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3/c19-9-4-10-20-17(23)12-25-18(24)16-11-15(13-7-8-13)21-22(16)14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-8,10,12H2,(H,20,23)