[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C19H21ClFN3O3 MolecularWeight: 393.839743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)N2CCCCC2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)N2CCCCC2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21ClFN3O3/c1-12-16(17(20)24(22-12)15-8-6-14(21)7-9-15)19(26)27-13(2)18(25)23-10-4-3-5-11-23/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1