2-[4-[2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxy-phenyl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxy-phenyl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C24H30BrN3O4 MolecularWeight: 504.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C24H30BrN3O4/c1-32-22-14-19(20(25)16-21(22)29)15-24(31)28-11-5-10-27(12-13-28)17-23(30)26-9-8-18-6-3-2-4-7-18/h2-4,6-7,14,16,29H,5,8-13,15,17H2,1H3,(H,26,30)