3-pentyl-6-[4-(4-propoxyphenyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-pentyl-6-[4-(4-propoxyphenyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[4-(4-propoxyphenyl)phenyl]phthalonitrile CAS Name: 3-pentyl-6-[4-(4-propoxyphenyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[4-(4-propoxyphenyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[4-(4-propoxyphenyl)phenyl]phthalonitrile Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C28H28N2O/c1-3-5-6-7-23-14-17-26(28(20-30)27(23)19-29)24-10-8-21(9-11-24)22-12-15-25(16-13-22)31-18-4-2/h8-17H,3-7,18H2,1-2H3