3-(4-butylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylcyclohexyl)-6-(p-tolyl)phthalonitrile CAS Name: 3-(4-butylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butylcyclohexyl)-6-(p-tolyl)phthalonitrile Formula: C25H28N2 MolecularWeight: 356.50322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C)C#N)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C)C#N)C#N

InChI

InChI=1S/C25H28N2/c1-3-4-5-19-8-12-21(13-9-19)23-15-14-22(24(16-26)25(23)17-27)20-10-6-18(2)7-11-20/h6-7,10-11,14-15,19,21H,3-5,8-9,12-13H2,1-2H3