3-butoxy-6-[3-fluoranyl-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-butoxy-6-[3-fluoranyl-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[3-fluoro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile CAS Name: 3-butoxy-6-[3-fluoro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[3-fluoro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)-3-fluoro-phenyl]-6-butoxy-phthalonitrile Formula: C31H37FN2O MolecularWeight: 472.636683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C=C(C=C3)C4=C(C(=C(C=C4)OCCCC)C#N)C#N)F

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C=C(C=C3)C4=C(C(=C(C=C4)OCCCC)C#N)C#N)F

InChI

InChI=1S/C31H37FN2O/c1-3-5-7-12-30-13-16-31(17-14-30,18-15-30)27-10-8-23(20-28(27)32)24-9-11-29(35-19-6-4-2)26(22-34)25(24)21-33/h8-11,20H,3-7,12-19H2,1-2H3