methyl 2-(5-bromanyl-6-oxidanylidene-4-piperidin-1-yl-pyridazin-1-yl)ethanoate

Systemtic Name: methyl 2-(5-bromanyl-6-oxidanylidene-4-piperidin-1-yl-pyridazin-1-yl)ethanoate Openeye Name: methyl 2-[5-bromo-6-oxo-4-(1-piperidyl)pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-6-oxo-4-(1-piperidinyl)-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-bromo-6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetate Traditional Name: 2-(5-bromo-6-keto-4-piperidino-pyridazin-1-yl)acetic acid methyl ester Formula: C12H16BrN3O3 MolecularWeight: 330.17774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)N2CCCCC2)Br

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)N2CCCCC2)Br

InChI

InChI=1S/C12H16BrN3O3/c1-19-10(17)8-16-12(18)11(13)9(7-14-16)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3