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

Systemtic Name: 2-ethynyl-6-(3-methoxyazetidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-methoxyazetidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-methoxy-1-azetidinyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-methoxyazetidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-methoxyazetidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

COC1CN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C25H29N3O2/c1-3-24(15-19-8-5-4-6-9-19)25(29,21-10-7-12-26-16-21)20-11-13-28(24)23(14-20)27-17-22(18-27)30-2/h1,4-10,12,16,20,22-23,29H,11,13-15,17-18H2,2H3