3-(4-butylcyclohexyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butylcyclohexyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylcyclohexyl)-6-[4-(4-heptylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-butylcyclohexyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butylcyclohexyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butylcyclohexyl)-6-[4-(4-heptylcyclohexyl)phenyl]phthalonitrile Formula: C37H50N2 MolecularWeight: 522.8063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)CCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)CCCC)C#N)C#N

InChI

InChI=1S/C37H50N2/c1-3-5-7-8-9-11-29-12-16-30(17-13-29)31-20-22-33(23-21-31)35-25-24-34(36(26-38)37(35)27-39)32-18-14-28(15-19-32)10-6-4-2/h20-25,28-30,32H,3-19H2,1-2H3