N-tert-butyl-2-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-1,4-diazepan-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-1,4-diazepan-1-yl]-N-tert-butyl-acetamide Formula: C22H35N3O4 MolecularWeight: 405.531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(CN2CCCN(CC2)CC(=O)NC(C)(C)C)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(CN2CCCN(CC2)CC(=O)NC(C)(C)C)O

InChI

InChI=1S/C22H35N3O4/c1-17(26)18-7-5-8-20(13-18)29-16-19(27)14-24-9-6-10-25(12-11-24)15-21(28)23-22(2,3)4/h5,7-8,13,19,27H,6,9-12,14-16H2,1-4H3,(H,23,28)