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

Systemtic Name: 2-(5-bromanylpyridin-3-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-bromo-3-pyridyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-bromo-3-pyridinyl)-1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-bromopyridin-3-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-bromo-3-pyridyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C17H21BrN4OS/c1-13-20-16(12-24-13)11-21-3-2-4-22(6-5-21)17(23)8-14-7-15(18)10-19-9-14/h7,9-10,12H,2-6,8,11H2,1H3