Chem
J-GLOBAL ID：200907020816474680   Nikkaji number：J342.063I

(3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(1H-pyrrol-2-ylcarbonylamino)-2H-1-benzopyran-6-carbonitrile

N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-1H-ピロール-2-カルボキサミド
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： C17H17N3O3
Molecular formula furigana： C17-H17-N3-O3
Molecular weight： 311.341
InChI： InChI=1S/C17H17N3O3/c1-17(2)15(21)14(20-16(22)12-4-3-7-19-12)11-8-10(9-18)5-6-13(11)23-17/h3-8,14-15,19,21H,1-2H3,(H,20,22)/t14?,15-/m0/s1
InChI key： IKYUBOYHSROPNZ-LOACHALJSA-N
SMILES： CC1(C)Oc2ccc(cc2C(NC(=O)c2ccc[nH]2)[C@@H]1O)C#N
Systematic name  (3)：
  • (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4-(1H-ピロール-2-イルカルボニルアミノ)-2H-1-ベンゾピラン-6-カルボニトリル
  • N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-1H-ピロール-2-カルボキサミド
  • N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-pyrrole-2-carboxamide
Other name (1)：
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(1H-pyrrol-2-ylcarbonylamino)-2H-1-benzopyran-6-carbonitrile
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