1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-3H-phthalazin-5-one dihydrochloride

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-3H-phthalazin-5-one dihydrochloride Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-3H-phthalazin-5-one dihydrochloride CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-3H-phthalazin-5-one dihydrochloride IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-3H-phthalazin-5-one dihydrochloride Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-3H-phthalazin-5-one dihydrochloride Formula: C15H13Cl4N3O2 MolecularWeight: 409.09462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CNN=C2CC3=C(C=NC=C3Cl)Cl)C1=O.Cl.Cl

Isomeric SMILES

COC1=CC=C2C(=CNN=C2CC3=C(C=NC=C3Cl)Cl)C1=O.Cl.Cl

InChI

InChI=1S/C15H11Cl2N3O2.2ClH/c1-22-14-3-2-8-10(15(14)21)5-19-20-13(8)4-9-11(16)6-18-7-12(9)17;;/h2-3,5-7,19H,4H2,1H3;2*1H