2-(3-oxidanyl-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-oxidanyl-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C23H29F3N2O2 MolecularWeight: 422.48377

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C23H29F3N2O2/c24-23(25,26)18-2-1-3-19(9-18)27-4-6-28(7-5-27)20(29)14-21-10-16-8-17(11-21)13-22(30,12-16)15-21/h1-3,9,16-17,30H,4-8,10-15H2