[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c22-12-7-13-23-20(26)15-28-21(27)19-14-18(16-8-3-1-4-9-16)24-25(19)17-10-5-2-6-11-17/h1-6,8-11,14H,7,13,15H2,(H,23,26)