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

Systemtic Name: 4-(3-heptyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 4-(3-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 4-(3-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 4-(3-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 4-(3-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C22H31N MolecularWeight: 309.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC2CCC1(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CC2CCC1(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H31N/c1-2-3-4-5-6-7-21-16-18-12-14-22(21,15-13-18)20-10-8-19(17-23)9-11-20/h8-11,18,21H,2-7,12-16H2,1H3