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

Systemtic Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C22H31N MolecularWeight: 309.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H31N/c1-2-3-4-5-6-11-21-12-15-22(16-13-21,17-14-21)20-9-7-19(18-23)8-10-20/h7-10H,2-6,11-17H2,1H3