3-(4-ethoxyphenyl)-6-pentyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-ethoxyphenyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-pentyl-phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-p-phenetyl-phthalonitrile Formula: C21H22N2O MolecularWeight: 318.41218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

InChI

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