2-(1-adamantyl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone Formula: C22H28F3N3O MolecularWeight: 407.47243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28F3N3O/c23-22(24,25)18-1-2-19(26-14-18)27-3-5-28(6-4-27)20(29)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-2,14-17H,3-13H2