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

Systemtic Name: 4-[2-ethynyl-3-oxidanyl-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-5-yl]butan-2-one Openeye Name: 4-[5-benzyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)quinuclidin-3-yl]butan-2-one CAS Name: 4-[2-ethynyl-3-hydroxy-3-(phenylmethyl)-2-(2-pyridinyl)-1-azabicyclo[2.2.2]octan-5-yl]-2-butanone IUPAC Name: 4-(3-benzyl-2-ethynyl-3-hydroxy-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-5-yl)butan-2-one Traditional Name: 4-[5-benzyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)quinuclidin-3-yl]butan-2-one Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CN2CCC1C(C2(C#C)C3=CC=CC=N3)(CC4=CC=CC=C4)O

Isomeric SMILES

CC(=O)CCC1CN2CCC1C(C2(C#C)C3=CC=CC=N3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C25H28N2O2/c1-3-24(23-11-7-8-15-26-23)25(29,17-20-9-5-4-6-10-20)22-14-16-27(24)18-21(22)13-12-19(2)28/h1,4-11,15,21-22,29H,12-14,16-18H2,2H3