4-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenyl-but-3-ynenitrile

Systemtic Name: 4-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenyl-but-3-ynenitrile Openeye Name: 4-(3-hydroxyquinuclidin-3-yl)-2,2-diphenyl-but-3-ynenitrile CAS Name: 4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenyl-3-butynenitrile IUPAC Name: 4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenylbut-3-ynenitrile Traditional Name: 4-(3-hydroxyquinuclidin-3-yl)-2,2-diphenyl-but-3-ynenitrile Formula: C23H22N2O MolecularWeight: 342.43358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)(C#CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CN2CCC1C(C2)(C#CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H22N2O/c24-17-22(19-7-3-1-4-8-19,20-9-5-2-6-10-20)13-14-23(26)18-25-15-11-21(23)12-16-25/h1-10,21,26H,11-12,15-16,18H2