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

Systemtic Name: 3-(4-butoxyphenyl)-6-butyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-butyl-phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-butylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-butylbenzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-butyl-phthalonitrile Formula: C22H24N2O MolecularWeight: 332.43876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCC)C#N)C#N

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCC)C#N)C#N

InChI

InChI=1S/C22H24N2O/c1-3-5-7-17-10-13-20(22(16-24)21(17)15-23)18-8-11-19(12-9-18)25-14-6-4-2/h8-13H,3-7,14H2,1-2H3