tert-butyl (2R)-4-[5-bromanyl-3-(trifluoromethyl)pyridin-2-yl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2R)-4-[5-bromanyl-3-(trifluoromethyl)pyridin-2-yl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2R)-4-[5-bromo-3-(trifluoromethyl)-2-pyridyl]-2-methyl-piperazine-1-carboxylate CAS Name: (2R)-4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]-2-methylpiperazine-1-carboxylate Traditional Name: (2R)-4-[5-bromo-3-(trifluoromethyl)-2-pyridyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21BrF3N3O2 MolecularWeight: 424.25605

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2=NC=C(C=C2C(F)(F)F)Br

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C2=NC=C(C=C2C(F)(F)F)Br

InChI

InChI=1S/C16H21BrF3N3O2/c1-10-9-22(5-6-23(10)14(24)25-15(2,3)4)13-12(16(18,19)20)7-11(17)8-21-13/h7-8,10H,5-6,9H2,1-4H3/t10-/m1/s1