2-[4-[2-(5-bromanylpyridin-3-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(5-bromanylpyridin-3-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(5-bromo-3-pyridyl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-(5-bromo-3-pyridinyl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(5-bromopyridin-3-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-(5-bromo-3-pyridyl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC(=CN=C2)Br)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC(=CN=C2)Br)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN4O2/c23-20-13-19(15-24-16-20)14-22(29)27-10-4-9-26(11-12-27)17-21(28)25-8-7-18-5-2-1-3-6-18/h1-3,5-6,13,15-16H,4,7-12,14,17H2,(H,25,28)