3-(4-butylphenyl)-6-(4-propoxycyclohexyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butylphenyl)-6-(4-propoxycyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylphenyl)-6-(4-propoxycyclohexyl)phthalonitrile CAS Name: 3-(4-butylphenyl)-6-(4-propoxycyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butylphenyl)-6-(4-propoxycyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butylphenyl)-6-(4-propoxycyclohexyl)phthalonitrile Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)OCCC)C#N)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)OCCC)C#N)C#N

InChI

InChI=1S/C27H32N2O/c1-3-5-6-20-7-9-21(10-8-20)24-15-16-25(27(19-29)26(24)18-28)22-11-13-23(14-12-22)30-17-4-2/h7-10,15-16,22-23H,3-6,11-14,17H2,1-2H3