2-ethynyl-2-(phenylmethyl)-3,6-dipyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-(phenylmethyl)-3,6-dipyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-3,6-bis(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(phenylmethyl)-3,6-bis(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-3,6-dipyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-3,6-bis(3-pyridyl)quinuclidin-3-ol Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)C3=CN=CC=C3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CN=CC=C3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

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