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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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