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

Systemtic Name: 4-bromanyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-bromo-5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-phenyl-pyridazin-3-one CAS Name: 4-bromo-5-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-bromo-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-bromo-5-[(3S,5S)-3,5-dimethylpiperidino]-2-phenyl-pyridazin-3-one Formula: C17H20BrN3O MolecularWeight: 362.2642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)C

InChI

InChI=1S/C17H20BrN3O/c1-12-8-13(2)11-20(10-12)15-9-19-21(17(22)16(15)18)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13-/m0/s1