[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C21H26ClN3O3/c1-13-9-11-24(12-10-13)20(26)16(4)28-21(27)17-5-7-18(8-6-17)25-15(3)19(22)14(2)23-25/h5-8,13,16H,9-12H2,1-4H3