N-(1-oxidanyl-2-adamantyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1-oxidanyl-2-adamantyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide Openeye Name: N-(1-hydroxy-2-adamantyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetamide CAS Name: N-(1-hydroxy-2-adamantyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-hydroxy-2-adamantyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide Traditional Name: N-(1-hydroxy-2-adamantyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]acetamide Formula: C22H29F3N4O2 MolecularWeight: 438.48647

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2C3CC4CC(C3)CC2(C4)O)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC(=O)NC2C3CC4CC(C3)CC2(C4)O)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-16-8-14-7-15(9-16)11-21(20,31)10-14/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)