3-butyl-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCC)C#N)C#N

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCC)C#N)C#N

InChI

InChI=1S/C21H22N2O/c1-3-5-6-16-9-12-19(21(15-23)20(16)14-22)17-7-10-18(11-8-17)24-13-4-2/h7-12H,3-6,13H2,1-2H3