[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

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