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

Systemtic Name: tert-butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H27F3N4O3 MolecularWeight: 428.44859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H27F3N4O3/c1-19(2,3)30-18(29)27-8-4-5-15(27)17(28)26-11-9-25(10-12-26)16-7-6-14(13-24-16)20(21,22)23/h6-7,13,15H,4-5,8-12H2,1-3H3