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

Systemtic Name: 4-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile CAS Name: 4-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile Traditional Name: 4-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile Formula: C26H31N MolecularWeight: 357.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H31N/c1-2-3-4-5-6-7-16-25-18-26(19-25,20-25)24-14-12-23(13-15-24)22-10-8-21(17-27)9-11-22/h8-15H,2-7,16,18-20H2,1H3