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

Systemtic Name: 2-chloranyl-4-[2-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-chloro-4-[2-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-chloro-4-[2-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-chloro-4-[2-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-chloro-4-[2-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C27H32ClN MolecularWeight: 406.00268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C27H32ClN/c1-2-3-4-7-12-26-13-16-27(17-14-26,18-15-26)24-9-6-5-8-23(24)21-10-11-22(20-29)25(28)19-21/h5-6,8-11,19H,2-4,7,12-18H2,1H3