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

Systemtic Name: 2-ethynyl-3-(phenylmethyl)-2-pyridin-2-yl-5-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 3-benzyl-2-ethynyl-2-(2-pyridyl)-5-(4-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-3-(phenylmethyl)-2-(2-pyridinyl)-5-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 3-benzyl-2-ethynyl-2-pyridin-2-yl-5-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 3-benzyl-2-ethynyl-2-(2-pyridyl)-5-(4-pyridyl)quinuclidin-3-ol Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2C3=CC=NC=C3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2C3=CC=NC=C3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

InChI

InChI=1S/C26H25N3O/c1-2-25(24-10-6-7-14-28-24)26(30,18-20-8-4-3-5-9-20)23-13-17-29(25)19-22(23)21-11-15-27-16-12-21/h1,3-12,14-16,22-23,30H,13,17-19H2