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

Systemtic Name: 2-[4-[2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxy-phenyl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(2-bromo-4-hydroxy-5-methoxy-phenyl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)Br)O

InChI

InChI=1S/C22H26BrN3O4/c1-30-20-12-16(18(23)14-19(20)27)13-22(29)26-9-5-8-25(10-11-26)15-21(28)24-17-6-3-2-4-7-17/h2-4,6-7,12,14,27H,5,8-11,13,15H2,1H3,(H,24,28)