tert-butyl 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29F3N4O3 MolecularWeight: 442.47517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H29F3N4O3/c1-20(2,3)31-19(30)28-8-4-5-15(14-28)18(29)27-11-9-26(10-12-27)17-7-6-16(13-25-17)21(22,23)24/h6-7,13,15H,4-5,8-12,14H2,1-3H3