4-(azepan-1-yl)-5-(4-chloranyl-3,5-dimethyl-phenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(azepan-1-yl)-5-(4-chloranyl-3,5-dimethyl-phenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-(4-chloro-3,5-dimethyl-phenoxy)phthalonitrile CAS Name: 4-(1-azepanyl)-5-(4-chloro-3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-(4-chloro-3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-(4-chloro-3,5-dimethyl-phenoxy)phthalonitrile Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

InChI

InChI=1S/C22H22ClN3O/c1-15-9-19(10-16(2)22(15)23)27-21-12-18(14-25)17(13-24)11-20(21)26-7-5-3-4-6-8-26/h9-12H,3-8H2,1-2H3