N-[4-(azepan-1-yl)phenyl]-2-(2-chloranyl-4-cyano-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(2-chloranyl-4-cyano-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(2-chloro-4-cyano-phenoxy)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-chloro-4-cyano-phenoxy)acetamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H22ClN3O2/c22-19-13-16(14-23)5-10-20(19)27-15-21(26)24-17-6-8-18(9-7-17)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12,15H2,(H,24,26)