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

Systemtic Name: 3-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]cyclohex-2-en-1-one Openeye Name: 3-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]cyclohex-2-en-1-one CAS Name: 3-[2-ethynyl-3-hydroxy-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-6-yl]-1-cyclohex-2-enone IUPAC Name: 3-(2-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)cyclohex-2-en-1-one Traditional Name: 3-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]cyclohex-2-en-1-one Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)C3=CC(=O)CCC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CC(=O)CCC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O2/c1-2-26(18-20-8-4-3-5-9-20)27(31,23-11-7-14-28-19-23)22-13-15-29(26)25(17-22)21-10-6-12-24(30)16-21/h1,3-5,7-9,11,14,16,19,22,25,31H,6,10,12-13,15,17-18H2