(5-bromanylpyridin-3-yl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone Formula: C18H21BrN4O MolecularWeight: 389.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H21BrN4O/c1-14-4-2-5-17(21-14)13-22-6-3-7-23(9-8-22)18(24)15-10-16(19)12-20-11-15/h2,4-5,10-12H,3,6-9,13H2,1H3