4-(1-octyl-3-bicyclo[1.1.1]pentanyl)benzenecarbonitrile

Systemtic Name: 4-(1-octyl-3-bicyclo[1.1.1]pentanyl)benzenecarbonitrile Openeye Name: 4-(1-octyl-3-bicyclo[1.1.1]pentanyl)benzonitrile CAS Name: 4-(1-octyl-3-bicyclo[1.1.1]pentanyl)benzonitrile IUPAC Name: 4-(1-octyl-3-bicyclo[1.1.1]pentanyl)benzonitrile Traditional Name: 4-(1-octyl-3-bicyclo[1.1.1]pentanyl)benzonitrile Formula: C20H27N MolecularWeight: 281.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N/c1-2-3-4-5-6-7-12-19-14-20(15-19,16-19)18-10-8-17(13-21)9-11-18/h8-11H,2-7,12,14-16H2,1H3