2-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-4-methyl-phthalazin-1-one Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H16N2O4/c1-11-13-4-2-3-5-14(13)18(22)20(19-11)9-15(21)12-6-7-16-17(8-12)24-10-23-16/h2-8,15,21H,9-10H2,1H3