[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-phenyl-3-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H17ClN4O3/c22-16-9-7-15(8-10-16)18-13-19(26(25-18)17-5-2-1-3-6-17)21(28)29-14-20(27)24-12-4-11-23/h1-3,5-10,13H,4,12,14H2,(H,24,27)