5-[2-ethynyl-3-oxidanyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl]-1-methyl-pyridin-2-one

Systemtic Name: 5-[2-ethynyl-3-oxidanyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl]-1-methyl-pyridin-2-one Openeye Name: 5-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]-1-methyl-pyridin-2-one CAS Name: 5-[2-ethynyl-3-hydroxy-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-2-yl]-1-methyl-2-pyridinone IUPAC Name: 5-(4-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl)-1-methylpyridin-2-one Traditional Name: 5-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]-1-methyl-2-pyridone Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)C2(C(C3(CCN2CC3)CC4=CC=CC=C4)(C5=CN=CC=C5)O)C#C

Isomeric SMILES

CN1C=C(C=CC1=O)C2(C(C3(CCN2CC3)CC4=CC=CC=C4)(C5=CN=CC=C5)O)C#C

InChI

InChI=1S/C27H27N3O2/c1-3-26(23-11-12-24(31)29(2)20-23)27(32,22-10-7-15-28-19-22)25(13-16-30(26)17-14-25)18-21-8-5-4-6-9-21/h1,4-12,15,19-20,32H,13-14,16-18H2,2H3