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

Systemtic Name: 2-ethynyl-2-[4-(phenylmethyl)-6-pyrimidin-2-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-(4-benzyl-6-pyrimidin-2-yl-3-pyridyl)-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[4-(phenylmethyl)-6-(2-pyrimidinyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(4-benzyl-6-pyrimidin-2-ylpyridin-3-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-[4-benzyl-6-(2-pyrimidyl)-3-pyridyl]-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(C=C3CC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

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

InChI

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