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

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2CCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)NCC2CCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O3/c1-14-18(19(22)25(24-14)17-11-7-4-8-12-17)21(27)28-15(2)20(26)23-13-16-9-5-3-6-10-16/h4,7-8,11-12,15-16H,3,5-6,9-10,13H2,1-2H3,(H,23,26)/t15-/m1/s1