5-[2-ethynyl-3-oxidanyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl]-3-pyridin-3-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]-3-pyridin-3-yl-pyridine-2-carbonitrile Openeye Name: 5-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]-3-(3-pyridyl)pyridine-2-carbonitrile CAS Name: 5-[2-ethynyl-3-hydroxy-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-2-yl]-3-(3-pyridinyl)-2-pyridinecarbonitrile IUPAC Name: 5-(4-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-2-yl)-3-pyridin-3-ylpyridine-2-carbonitrile Traditional Name: 5-[4-benzyl-2-ethynyl-3-hydroxy-3-(3-pyridyl)quinuclidin-2-yl]-3-(3-pyridyl)picolinonitrile Formula: C32H27N5O MolecularWeight: 497.58968

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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)C6=CN=CC=C6)C#N

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CN=C(C(=C5)C6=CN=CC=C6)C#N

InChI

InChI=1S/C32H27N5O/c1-2-31(27-18-28(29(20-33)36-23-27)25-10-6-14-34-21-25)32(38,26-11-7-15-35-22-26)30(12-16-37(31)17-13-30)19-24-8-4-3-5-9-24/h1,3-11,14-15,18,21-23,38H,12-13,16-17,19H2