(3-oxidanyl-1-adamantyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-oxidanyl-1-adamantyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (3-hydroxy-1-adamantyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-hydroxy-1-adamantyl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-hydroxy-1-adamantyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (3-hydroxy-1-adamantyl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H27F3N2O2 MolecularWeight: 408.45719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H27F3N2O2/c23-22(24,25)17-2-1-3-18(9-17)26-4-6-27(7-5-26)19(28)20-10-15-8-16(11-20)13-21(29,12-15)14-20/h1-3,9,15-16,29H,4-8,10-14H2