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

Systemtic Name: 3-[4-(4-propoxyphenyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[4-(4-propoxyphenyl)phenyl]-6-propyl-phthalonitrile CAS Name: 3-[4-(4-propoxyphenyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[4-(4-propoxyphenyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-propoxyphenyl)phenyl]-6-propyl-phthalonitrile Formula: C26H24N2O MolecularWeight: 380.48156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C26H24N2O/c1-3-5-21-12-15-24(26(18-28)25(21)17-27)22-8-6-19(7-9-22)20-10-13-23(14-11-20)29-16-4-2/h6-15H,3-5,16H2,1-2H3