4-(azepan-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(azepan-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-(2,6-dimethylphenoxy)phthalonitrile CAS Name: 4-(1-azepanyl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-(2,6-dimethylphenoxy)phthalonitrile Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

InChI

InChI=1S/C22H23N3O/c1-16-8-7-9-17(2)22(16)26-21-13-19(15-24)18(14-23)12-20(21)25-10-5-3-4-6-11-25/h7-9,12-13H,3-6,10-11H2,1-2H3