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

Systemtic Name: tert-butyl 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28ClF3N4O3 MolecularWeight: 476.92023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H28ClF3N4O3/c1-20(2,3)32-19(31)29-6-4-5-14(13-29)18(30)28-9-7-27(8-10-28)17-16(22)11-15(12-26-17)21(23,24)25/h11-12,14H,4-10,13H2,1-3H3