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

Systemtic Name: 5-[2-ethynyl-3-oxidanyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl]pyridine-2-carbonitrile Openeye Name: 5-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]pyridine-2-carbonitrile CAS Name: 5-[2-ethynyl-3-hydroxy-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-2-yl]-2-pyridinecarbonitrile IUPAC Name: 5-(4-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl)pyridine-2-carbonitrile Traditional Name: 5-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]picolinonitrile Formula: C27H24N4O MolecularWeight: 420.50566

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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=CN=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O/c1-2-26(22-10-11-24(18-28)30-20-22)27(32,23-9-6-14-29-19-23)25(12-15-31(26)16-13-25)17-21-7-4-3-5-8-21/h1,3-11,14,19-20,32H,12-13,15-17H2