3-(4-bromanylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one Openeye Name: 3-(4-bromopyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one CAS Name: 3-(4-bromo-1-pyrazolyl)-1-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-1-propanone IUPAC Name: 3-(4-bromopyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one Traditional Name: 3-(4-bromopyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholino]propan-1-one Formula: C12H18BrN3O2 MolecularWeight: 316.19422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)CCN2C=C(C=N2)Br

InChI

InChI=1S/C12H18BrN3O2/c1-9-6-15(7-10(2)18-9)12(17)3-4-16-8-11(13)5-14-16/h5,8-10H,3-4,6-7H2,1-2H3/t9-,10-/m0/s1