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

Systemtic Name: 1-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]piperidine-4-carbonitrile Openeye Name: 1-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]piperidine-4-carbonitrile CAS Name: 1-[2-ethynyl-3-hydroxy-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-6-yl]-4-piperidinecarbonitrile IUPAC Name: 1-(2-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)piperidine-4-carbonitrile Traditional Name: 1-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]isonipecotonitrile Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)N3CCC(CC3)C#N)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3CCC(CC3)C#N)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c1-2-26(18-21-7-4-3-5-8-21)27(32,24-9-6-13-29-20-24)23-12-16-31(26)25(17-23)30-14-10-22(19-28)11-15-30/h1,3-9,13,20,22-23,25,32H,10-12,14-18H2