1-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]-2H-pyrrol-5-one

Systemtic Name: 1-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]-2H-pyrrol-5-one Openeye Name: 1-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]-2H-pyrrol-5-one CAS Name: 1-[2-ethynyl-3-hydroxy-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-6-yl]-2H-pyrrol-5-one IUPAC Name: 1-(2-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)-2H-pyrrol-5-one Traditional Name: 1-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]-3-pyrrolin-2-one Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)N3CC=CC3=O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3CC=CC3=O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2/c1-2-24(17-19-8-4-3-5-9-19)25(30,21-10-6-13-26-18-21)20-12-15-28(24)22(16-20)27-14-7-11-23(27)29/h1,3-11,13,18,20,22,30H,12,14-17H2