4-(3-pentyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile

Systemtic Name: 4-(3-pentyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 4-(3-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 4-(3-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 4-(3-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 4-(3-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:

CCCCCC1CC2CCC1(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CC2CCC1(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N/c1-2-3-4-5-19-14-16-10-12-20(19,13-11-16)18-8-6-17(15-21)7-9-18/h6-9,16,19H,2-5,10-14H2,1H3