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

Systemtic Name: 2-ethynyl-2-(phenylmethyl)-6-pyridin-2-yl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(2-pyridyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(phenylmethyl)-6-(2-pyridinyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-pyridin-2-yl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(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(C2CCN1C(C2)C3=CC=CC=N3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CC=CC=N3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

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