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

Systemtic Name: 4-(azepan-1-yl)-5-(4-chloranyl-3-methyl-phenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-(4-chloro-3-methyl-phenoxy)phthalonitrile CAS Name: 4-(1-azepanyl)-5-(4-chloro-3-methylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-(4-chloro-3-methylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-(4-chloro-3-methyl-phenoxy)phthalonitrile Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O/c1-15-10-18(6-7-19(15)22)26-21-12-17(14-24)16(13-23)11-20(21)25-8-4-2-3-5-9-25/h6-7,10-12H,2-5,8-9H2,1H3