2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-6-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-6-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-(4-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-6-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-3-pyridin-3-yl-6-pyridin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-(4-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=NC=C3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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