2-ethynyl-2-[4-(phenylmethyl)-6-pyrimidin-5-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-[4-(phenylmethyl)-6-pyrimidin-5-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-(4-benzyl-6-pyrimidin-5-yl-3-pyridyl)-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[4-(phenylmethyl)-6-(5-pyrimidinyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(4-benzyl-6-pyrimidin-5-ylpyridin-3-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-[4-benzyl-6-(5-pyrimidyl)-3-pyridyl]-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(C=C3CC4=CC=CC=C4)C5=CN=CN=C5

Isomeric SMILES

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

InChI

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