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

Systemtic Name: 4-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 4-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 4-[4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C27H33N MolecularWeight: 371.55762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H33N/c1-2-3-4-5-14-26-15-18-27(19-16-26,20-17-26)25-12-10-24(11-13-25)23-8-6-22(21-28)7-9-23/h6-13H,2-5,14-20H2,1H3