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

Systemtic Name: 3-(4-butoxyphenyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-pentyl-phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(4-butoxyphenyl)phthalonitrile Formula: C23H26N2O MolecularWeight: 346.46534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCC)C#N)C#N

InChI

InChI=1S/C23H26N2O/c1-3-5-7-8-18-11-14-21(23(17-25)22(18)16-24)19-9-12-20(13-10-19)26-15-6-4-2/h9-14H,3-8,15H2,1-2H3