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

Systemtic Name: 2-ethynyl-4-(phenylmethyl)-3-pyridin-3-yl-2-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-ethynyl-3-(3-pyridyl)-2-(4-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-4-(phenylmethyl)-3-(3-pyridinyl)-2-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-ethynyl-3-pyridin-3-yl-2-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-ethynyl-3-(3-pyridyl)-2-(4-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=NC=C5

Isomeric SMILES

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

InChI

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