N-[3-[2-(azepan-1-yl)-4,5-dicyano-phenoxy]phenyl]ethanamide

Systemtic Name: N-[3-[2-(azepan-1-yl)-4,5-dicyano-phenoxy]phenyl]ethanamide Openeye Name: N-[3-[2-(azepan-1-yl)-4,5-dicyano-phenoxy]phenyl]acetamide CAS Name: N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide IUPAC Name: N-[3-[2-(azepan-1-yl)-4,5-dicyanophenoxy]phenyl]acetamide Traditional Name: N-[3-[2-(azepan-1-yl)-4,5-dicyano-phenoxy]phenyl]acetamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

InChI

InChI=1S/C22H22N4O2/c1-16(27)25-19-7-6-8-20(13-19)28-22-12-18(15-24)17(14-23)11-21(22)26-9-4-2-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H,25,27)