3-(4-butoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-(4-propylphenyl)phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-(4-propylphenyl)phthalonitrile Formula: C27H26N2O MolecularWeight: 394.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C27H26N2O/c1-3-5-17-30-23-13-11-22(12-14-23)25-16-15-24(26(18-28)27(25)19-29)21-9-7-20(6-4-2)8-10-21/h7-16H,3-6,17H2,1-2H3