tert-butyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28F3N3O3 MolecularWeight: 427.46053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28F3N3O3/c1-20(2,3)30-19(29)27-9-5-8-17(27)18(28)26-12-10-25(11-13-26)16-7-4-6-15(14-16)21(22,23)24/h4,6-7,14,17H,5,8-13H2,1-3H3