Chem
J-GLOBAL ID：200907020805834553
Nikkaji number：J1.572.475G
4-(1,3-Benzodioxole-5-ylmethyl)-1,2-dihydrophthalazine-1-one
4-(1,3-ベンゾジオキソール-5-イルメチル)-1,2-ジヒドロフタラジン-1-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C16H12N2O3
Molecular formula furigana： C16-H12-N2-O3
Molecular weight： 280.283
InChI：
InChI=1S/C16H12N2O3/c19-16-12-4-2-1-3-11(12)13(17-18-16)7-10-5-6-14-15(8-10)21-9-20-14/h1-6,8H,7,9H2,(H,18,19)
InChI key：
QZKXNYJIDCJSOO-UHFFFAOYSA-N
SMILES：
O=c1[nH]nc(Cc2ccc3OCOc3c2)c2ccccc12
Systematic name (3)：
- 4-(1,3-ベンゾジオキソール-5-イルメチル)-1,2-ジヒドロフタラジン-1-オン
- 4-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-1,2-ジヒドロフタラジン-1-オン
- 4-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2-dihydrophthalazin-1-one
- 4-(1,3-Benzodioxole-5-ylmethyl)-1,2-dihydrophthalazine-1-one
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