1-adamantyl-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C21H25ClF3N3O MolecularWeight: 427.89091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25ClF3N3O/c22-17-8-16(21(23,24)25)12-26-18(17)27-1-3-28(4-2-27)19(29)20-9-13-5-14(10-20)7-15(6-13)11-20/h8,12-15H,1-7,9-11H2