methyl 6-[[5-bromanyl-6-oxidanylidene-4-(pyridin-3-ylmethylamino)-1H-pyridazin-3-yl]oxy]hexanoate

Systemtic Name: methyl 6-[[5-bromanyl-6-oxidanylidene-4-(pyridin-3-ylmethylamino)-1H-pyridazin-3-yl]oxy]hexanoate Openeye Name: methyl 6-[[5-bromo-6-oxo-4-(3-pyridylmethylamino)-1H-pyridazin-3-yl]oxy]hexanoate CAS Name: 6-[[5-bromo-6-oxo-4-(3-pyridinylmethylamino)-1H-pyridazin-3-yl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[[5-bromo-6-oxo-4-(pyridin-3-ylmethylamino)-1H-pyridazin-3-yl]oxy]hexanoate Traditional Name: 6-[[5-bromo-6-keto-4-(3-pyridylmethylamino)-1H-pyridazin-3-yl]oxy]hexanoic acid methyl ester Formula: C17H21BrN4O4 MolecularWeight: 425.27704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=NNC(=O)C(=C1NCC2=CN=CC=C2)Br

Isomeric SMILES

COC(=O)CCCCCOC1=NNC(=O)C(=C1NCC2=CN=CC=C2)Br

InChI

InChI=1S/C17H21BrN4O4/c1-25-13(23)7-3-2-4-9-26-17-15(14(18)16(24)21-22-17)20-11-12-6-5-8-19-10-12/h5-6,8,10H,2-4,7,9,11H2,1H3,(H2,20,21,24)