Chem
J-GLOBAL ID：200907059743492395
Nikkaji number：J342.062K
(3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(3-pyridinylcarbonylamino)-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]ピリジン-3-カルボキサミド
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： C18H17N3O3
Molecular formula furigana： C18-H17-N3-O3
Molecular weight： 323.352
InChI：
InChI=1S/C18H17N3O3/c1-18(2)16(22)15(21-17(23)12-4-3-7-20-10-12)13-8-11(9-19)5-6-14(13)24-18/h3-8,10,15-16,22H,1-2H3,(H,21,23)/t15?,16-/m0/s1
InChI key：
QHPCXWSMZVKSDD-LYKKTTPLSA-N
SMILES：
CC1(C)Oc2ccc(cc2C(NC(=O)c2cccnc2)[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-(3-ピリジニ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]ピリジン-3-カルボキサミド
- N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]pyridine-3-carboxamide
- (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(3-pyridinylcarbonylamino)-2H-1-benzopyran-6-carbonitrile
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