N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide Formula: C22H28ClN3O3 MolecularWeight: 417.92902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C22H28ClN3O3/c1-28-20-14-21(29-2)19(13-18(20)23)24-22(27)16-26-10-6-9-25(11-12-26)15-17-7-4-3-5-8-17/h3-5,7-8,13-14H,6,9-12,15-16H2,1-2H3,(H,24,27)