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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2C3=CC=CC=N3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2C3=CC=CC=N3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

InChI

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