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

Systemtic Name: 2-(3-oxidanyl-1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazino]ethanone Formula: C24H29F3N2O3 MolecularWeight: 450.49387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)O)C(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)O)C(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C24H29F3N2O3/c25-24(26,27)19-4-2-1-3-18(19)21(31)29-7-5-28(6-8-29)20(30)14-22-10-16-9-17(11-22)13-23(32,12-16)15-22/h1-4,16-17,32H,5-15H2