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

Systemtic Name: 1-adamantyl-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C21H26F3N3O MolecularWeight: 393.44585

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26F3N3O/c22-21(23,24)17-1-2-18(25-13-17)26-3-5-27(6-4-26)19(28)20-10-14-7-15(11-20)9-16(8-14)12-20/h1-2,13-16H,3-12H2