2-chloranyl-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 2-chloro-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 2-chloro-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 2-chloro-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 2-chloro-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C21H28ClN MolecularWeight: 329.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H28ClN/c1-2-3-4-5-8-20-9-12-21(13-10-20,14-11-20)18-7-6-17(16-23)19(22)15-18/h6-7,15H,2-5,8-14H2,1H3