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

Systemtic Name: 3-(4-pentylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-pentylcyclohexyl)-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-(4-pentylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-pentylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amylcyclohexyl)-6-(4-propoxyphenyl)phthalonitrile Formula: C28H34N2O MolecularWeight: 414.58236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C28H34N2O/c1-3-5-6-7-21-8-10-22(11-9-21)25-16-17-26(28(20-30)27(25)19-29)23-12-14-24(15-13-23)31-18-4-2/h12-17,21-22H,3-11,18H2,1-2H3