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

Systemtic Name: 2-adamantyl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 2-adamantyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 2-adamantyl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 2-adamantyl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 2-adamantyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C22H28F3N3O MolecularWeight: 407.47243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2C3CC4CC(C3)CC2C4)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2C3CC4CC(C3)CC2C4)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C22H28F3N3O/c23-22(24,25)18-2-3-19(26-13-18)27-4-1-5-28(7-6-27)21(29)20-16-9-14-8-15(11-16)12-17(20)10-14/h2-3,13-17,20H,1,4-12H2