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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-14(2)23-20(26)13-28-21(27)19-12-18(15-8-10-16(22)11-9-15)24-25(19)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,23,26)