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

Systemtic Name: 3-[2-fluoranyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[2-fluoro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propyl-phthalonitrile CAS Name: 3-[2-fluoro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[2-fluoro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[2-fluoro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propyl-phthalonitrile Formula: C28H31FN2 MolecularWeight: 414.557543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)F)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)F)C#N)C#N

InChI

InChI=1S/C28H31FN2/c1-3-5-20-6-8-22(25(19-31)24(20)18-30)23-9-7-21(17-26(23)29)28-14-11-27(10-4-2,12-15-28)13-16-28/h6-9,17H,3-5,10-16H2,1-2H3