4-bromanyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-ethyl-pyridazin-3-one

Systemtic Name: 4-bromanyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-ethyl-pyridazin-3-one Openeye Name: 4-bromo-5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-ethyl-pyridazin-3-one CAS Name: 4-bromo-5-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-ethyl-3-pyridazinone IUPAC Name: 4-bromo-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-ethylpyridazin-3-one Traditional Name: 4-bromo-5-[(3S,5S)-3,5-dimethylpiperidino]-2-ethyl-pyridazin-3-one Formula: C13H20BrN3O MolecularWeight: 314.2214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C=N1)N2CC(CC(C2)C)C)Br

Isomeric SMILES

CCN1C(=O)C(=C(C=N1)N2C[C@H](C[C@@H](C2)C)C)Br

InChI

InChI=1S/C13H20BrN3O/c1-4-17-13(18)12(14)11(6-15-17)16-7-9(2)5-10(3)8-16/h6,9-10H,4-5,7-8H2,1-3H3/t9-,10-/m0/s1