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

Systemtic Name: 4-(2-bromanylpyridin-4-yl)-6,7-dimethoxy-2-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 4-(2-bromo-4-pyridyl)-6,7-dimethoxy-2-(4-pyridylmethyl)phthalazin-1-one CAS Name: 4-(2-bromo-4-pyridinyl)-6,7-dimethoxy-2-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 4-(2-bromopyridin-4-yl)-6,7-dimethoxy-2-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 4-(2-bromo-4-pyridyl)-6,7-dimethoxy-2-(4-pyridylmethyl)phthalazin-1-one Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN(C2=O)CC3=CC=NC=C3)C4=CC(=NC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN(C2=O)CC3=CC=NC=C3)C4=CC(=NC=C4)Br)OC

InChI

InChI=1S/C21H17BrN4O3/c1-28-17-10-15-16(11-18(17)29-2)21(27)26(12-13-3-6-23-7-4-13)25-20(15)14-5-8-24-19(22)9-14/h3-11H,12H2,1-2H3