(4-tert-butylcyclohexyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylcyclohexyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylcyclohexyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylcyclohexyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylcyclohexyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylcyclohexyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C21H30F3N3O MolecularWeight: 397.47761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H30F3N3O/c1-20(2,3)16-6-4-15(5-7-16)19(28)27-12-10-26(11-13-27)18-9-8-17(14-25-18)21(22,23)24/h8-9,14-16H,4-7,10-13H2,1-3H3