2-ethynyl-2-[4-(phenylmethyl)-2-pyridin-2-yl-pyrimidin-5-yl]-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-[4-(phenylmethyl)-2-pyridin-2-yl-pyrimidin-5-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-[4-benzyl-2-(2-pyridyl)pyrimidin-5-yl]-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[4-(phenylmethyl)-2-(2-pyridinyl)-5-pyrimidinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(4-benzyl-2-pyridin-2-ylpyrimidin-5-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-[4-benzyl-2-(2-pyridyl)pyrimidin-5-yl]-2-ethynyl-quinuclidin-3-ol Formula: C25H24N4O MolecularWeight: 396.48426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2)O)C3=CN=C(N=C3CC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2)O)C3=CN=C(N=C3CC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C25H24N4O/c1-2-25(23(30)19-11-14-29(25)15-12-19)20-17-27-24(21-10-6-7-13-26-21)28-22(20)16-18-8-4-3-5-9-18/h1,3-10,13,17,19,23,30H,11-12,14-16H2