tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30F3N3O3 MolecularWeight: 441.48711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30F3N3O3/c1-21(2,3)31-20(30)28-9-5-6-16(15-28)19(29)27-12-10-26(11-13-27)18-8-4-7-17(14-18)22(23,24)25/h4,7-8,14,16H,5-6,9-13,15H2,1-3H3