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

Systemtic Name: 3-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propyl-phthalonitrile CAS Name: 3-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-propyl-phthalonitrile Formula: C30H36N2 MolecularWeight: 424.62024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2/c1-3-5-6-14-29-15-18-30(19-16-29,20-17-29)25-11-8-24(9-12-25)26-13-10-23(7-4-2)27(21-31)28(26)22-32/h8-13H,3-7,14-20H2,1-2H3