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

Systemtic Name: 4-bromanyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-propan-2-yl-pyridazin-3-one Openeye Name: 4-bromo-5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-isopropyl-pyridazin-3-one CAS Name: 4-bromo-5-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-propan-2-yl-3-pyridazinone IUPAC Name: 4-bromo-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-propan-2-ylpyridazin-3-one Traditional Name: 4-bromo-5-[(3S,5S)-3,5-dimethylpiperidino]-2-isopropyl-pyridazin-3-one Formula: C14H22BrN3O MolecularWeight: 328.24798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrN3O/c1-9(2)18-14(19)13(15)12(6-16-18)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8H2,1-4H3/t10-,11-/m0/s1