2-(5-bromanylpyridin-3-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-bromanylpyridin-3-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-bromo-3-pyridyl)-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-bromo-3-pyridinyl)-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-bromopyridin-3-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-bromo-3-pyridyl)-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C17H21BrN4O2 MolecularWeight: 393.27824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C17H21BrN4O2/c1-13-7-16(20-24-13)12-21-3-2-4-22(6-5-21)17(23)9-14-8-15(18)11-19-10-14/h7-8,10-11H,2-6,9,12H2,1H3