5-(azepan-1-yl)-4-bromanyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-(azepan-1-yl)-4-bromanyl-2-phenyl-pyridazin-3-one Openeye Name: 5-(azepan-1-yl)-4-bromo-2-phenyl-pyridazin-3-one CAS Name: 5-(1-azepanyl)-4-bromo-2-phenyl-3-pyridazinone IUPAC Name: 5-(azepan-1-yl)-4-bromo-2-phenylpyridazin-3-one Traditional Name: 5-(azepan-1-yl)-4-bromo-2-phenyl-pyridazin-3-one Formula: C16H18BrN3O MolecularWeight: 348.23762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C16H18BrN3O/c17-15-14(19-10-6-1-2-7-11-19)12-18-20(16(15)21)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2