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

Systemtic Name: tert-butyl (2R)-4-[5-methanoyl-3-(trifluoromethyl)pyridin-2-yl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2R)-4-[5-formyl-3-(trifluoromethyl)-2-pyridyl]-2-methyl-piperazine-1-carboxylate CAS Name: (2R)-4-[5-formyl-3-(trifluoromethyl)-2-pyridinyl]-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-[5-formyl-3-(trifluoromethyl)pyridin-2-yl]-2-methylpiperazine-1-carboxylate Traditional Name: (2R)-4-[5-formyl-3-(trifluoromethyl)-2-pyridyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22F3N3O3 MolecularWeight: 373.37009

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C(C=N2)C=O)C(F)(F)F

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C(C=N2)C=O)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O3/c1-11-9-22(5-6-23(11)15(25)26-16(2,3)4)14-13(17(18,19)20)7-12(10-24)8-21-14/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m1/s1