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

Systemtic Name: 3-[2-ethynyl-3-oxidanyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl]cyclohex-2-en-1-one Openeye Name: 3-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]cyclohex-2-en-1-one CAS Name: 3-[2-ethynyl-3-hydroxy-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-2-yl]-1-cyclohex-2-enone IUPAC Name: 3-(4-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl)cyclohex-2-en-1-one Traditional Name: 3-[4-benzyl-2-ethynyl-3-hydroxy-3-(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(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CC(=O)CCC5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CC(=O)CCC5

InChI

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