[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)COC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15(2)24-20(27)14-29-21(28)12-17-13-26(19-6-4-3-5-7-19)25-22(17)16-8-10-18(23)11-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,24,27)