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

Systemtic Name: 3-(4-butoxyphenyl)-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-propyl-phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-propyl-phthalonitrile Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC)C#N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC)C#N)C#N

InChI

InChI=1S/C21H22N2O/c1-3-5-13-24-18-10-7-17(8-11-18)19-12-9-16(6-4-2)20(14-22)21(19)15-23/h7-12H,3-6,13H2,1-2H3