4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile

Systemtic Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C20H27N MolecularWeight: 281.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N/c1-2-3-4-9-19-10-13-20(14-11-19,15-12-19)18-7-5-17(16-21)6-8-18/h5-8H,2-4,9-15H2,1H3