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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CC=CC=N5

InChI

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