4-(2-bromanylpyridin-4-yl)-2-(2-hydroxyethyl)-6,7-dimethoxy-phthalazin-1-one

Systemtic Name: 4-(2-bromanylpyridin-4-yl)-2-(2-hydroxyethyl)-6,7-dimethoxy-phthalazin-1-one Openeye Name: 4-(2-bromo-4-pyridyl)-2-(2-hydroxyethyl)-6,7-dimethoxy-phthalazin-1-one CAS Name: 4-(2-bromo-4-pyridinyl)-2-(2-hydroxyethyl)-6,7-dimethoxy-1-phthalazinone IUPAC Name: 4-(2-bromopyridin-4-yl)-2-(2-hydroxyethyl)-6,7-dimethoxyphthalazin-1-one Traditional Name: 4-(2-bromo-4-pyridyl)-2-(2-hydroxyethyl)-6,7-dimethoxy-phthalazin-1-one Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN(C2=O)CCO)C3=CC(=NC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN(C2=O)CCO)C3=CC(=NC=C3)Br)OC

InChI

InChI=1S/C17H16BrN3O4/c1-24-13-8-11-12(9-14(13)25-2)17(23)21(5-6-22)20-16(11)10-3-4-19-15(18)7-10/h3-4,7-9,22H,5-6H2,1-2H3