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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

Isomeric SMILES

CC(=O)CCC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

InChI

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