(6-bromanylpyridin-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (6-bromanylpyridin-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (6-bromo-2-pyridyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (6-bromo-2-pyridinyl)-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (6-bromopyridin-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (6-bromo-2-pyridyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C16H20BrN5O MolecularWeight: 378.2669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=NC(=CC=C3)Br

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=NC(=CC=C3)Br

InChI

InChI=1S/C16H20BrN5O/c1-20-9-6-18-15(20)12-21-7-3-8-22(11-10-21)16(23)13-4-2-5-14(17)19-13/h2,4-6,9H,3,7-8,10-12H2,1H3