3-hexyl-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-hexyl-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-hexyl-6-(4-methoxyphenyl)phthalonitrile CAS Name: 3-hexyl-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-hexyl-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-hexyl-6-(4-methoxyphenyl)phthalonitrile Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC)C#N)C#N

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC)C#N)C#N

InChI

InChI=1S/C21H22N2O/c1-3-4-5-6-7-16-10-13-19(21(15-23)20(16)14-22)17-8-11-18(24-2)12-9-17/h8-13H,3-7H2,1-2H3