Chem
J-GLOBAL ID:200907025480508613   Nikkaji number:J460.567E

(3S)-3,4-Dihydro-3β-hydroxy-2,2,3-trimethyl-4α-[(1,6-dihydro-6-oxopyridazin)-1-yloxy]-2H-1-benzopyran-6-carbonitrile

(3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2,3-トリメチル-4α-[(1,6-ジヒドロ-6-オキソピリダジン)-1-イルオキシ]-2H-1-ベンゾピラン-6-カルボニトリル
Substance type:
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
Molecular formula: C17H17N3O4
Molecular formula furigana: C17-H17-N3-O4
Molecular weight: 327.340
InChI: InChI=1S/C17H17N3O4/c1-16(2)17(3,22)15(24-20-14(21)5-4-8-19-20)12-9-11(10-18)6-7-13(12)23-16/h4-9,15,22H,1-3H3/t15-,17+/m1/s1
InChI key: JKQSBJDLFXCKGL-WBVHZDCISA-N
SMILES: CC1(C)Oc2ccc(cc2[C@@H](On2ncccc2=O)[C@]1(C)O)C#N
Systematic name  (3):
  • (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2,3-トリメチル-4α-[(1,6-ジヒドロ-6-オキソピリダジン)-1-イルオキシ]-2H-1-ベンゾピラン-6-カルボニトリル
  • (3S,4R)-3-ヒドロキシ-2,2,3-トリメチル-4-[(6-オキソ-1,6-ジヒドロピリダジン-1-イル)オキシ]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-カルボニトリル
  • (3S,4R)-3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1,6-dihydropyridazin-1-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
Other name (1):
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2,3-trimethyl-4α-[(1,6-dihydro-6-oxopyridazin)-1-yloxy]-2H-1-benzopyran-6-carbonitrile
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