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

Systemtic Name: boron; 4-(3-methoxy-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenyl-but-3-ynenitrile Openeye Name: boron; 4-(3-methoxyquinuclidin-3-yl)-2,2-diphenyl-but-3-ynenitrile CAS Name: boron; 4-(3-methoxy-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenyl-3-butynenitrile IUPAC Name: boron; 4-(3-methoxy-1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenylbut-3-ynenitrile Traditional Name: boron; 4-(3-methoxyquinuclidin-3-yl)-2,2-diphenyl-but-3-ynenitrile Formula: C24H24BN2O MolecularWeight: 367.27116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B].COC1(CN2CCC1CC2)C#CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B].COC1(CN2CCC1CC2)C#CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O.B/c1-27-24(19-26-16-12-22(24)13-17-26)15-14-23(18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21;/h2-11,22H,12-13,16-17,19H2,1H3;