2-[3-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]carbonyl]phenoxy]ethanamide

Systemtic Name: 2-[3-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]carbonyl]phenoxy]ethanamide Openeye Name: 2-[3-[4-(o-tolyl)-1,4-diazepane-1-carbonyl]phenoxy]acetamide CAS Name: 2-[3-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]-oxomethyl]phenoxy]acetamide IUPAC Name: 2-[3-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[3-[4-(o-tolyl)-1,4-diazepane-1-carbonyl]phenoxy]acetamide Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC(=O)N

InChI

InChI=1S/C21H25N3O3/c1-16-6-2-3-9-19(16)23-10-5-11-24(13-12-23)21(26)17-7-4-8-18(14-17)27-15-20(22)25/h2-4,6-9,14H,5,10-13,15H2,1H3,(H2,22,25)