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

Systemtic Name: 2-chloranyl-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-chloro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-chloro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-chloro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 4-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-chloro-benzonitrile Formula: C26H30ClN MolecularWeight: 391.9761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C26H30ClN/c1-2-3-6-11-25-12-15-26(16-13-25,17-14-25)23-8-5-4-7-22(23)20-9-10-21(19-28)24(27)18-20/h4-5,7-10,18H,2-3,6,11-17H2,1H3