2-(3-bromanyl-1-adamantyl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone Formula: C22H27BrF3N3O MolecularWeight: 486.36849

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrF3N3O/c23-21-10-15-7-16(11-21)9-20(8-15,14-21)12-19(30)29-5-3-28(4-6-29)18-2-1-17(13-27-18)22(24,25)26/h1-2,13,15-16H,3-12,14H2