Chem
J-GLOBAL ID:200907051656216283   Nikkaji number:J690.243J

3,4-Dihydro-2,2-dimethyl-3β-hydroxy-4α-[2-cyano-3-(3-chlorophenyl)guanidino]-2H-1-benzopyran-6-carbonitrile

3,4-ジヒドロ-2,2-ジメチル-3β-ヒドロキシ-4α-[2-シアノ-3-(3-クロロフェニル)グアニジノ]-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: C20H18ClN5O2
Molecular formula furigana: C20-H18-CL-N5-O2
Molecular weight: 395.850
InChI: InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-8-12(10-22)6-7-16(15)28-20)26-19(24-11-23)25-14-5-3-4-13(21)9-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m1/s1
InChI key: SADDEOBQPPLBOL-MSOLQXFVSA-N
SMILES: CC1(C)Oc2ccc(cc2[C@@H](NC(=NC#N)Nc2cccc(Cl)c2)[C@@H]1O)C#N
Systematic name  (3):
  • 3,4-ジヒドロ-2,2-ジメチル-3β-ヒドロキシ-4α-[2-シアノ-3-(3-クロロフェニル)グアニジノ]-2H-1-ベンゾピラン-6-カルボニトリル
  • N-(3-クロロフェニル)-N''-シアノ-N'-[(3S,4R)-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]グアニジン
  • N-(3-chlorophenyl)-N''-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine
Other name (1):
  • 3,4-Dihydro-2,2-dimethyl-3β-hydroxy-4α-[2-cyano-3-(3-chlorophenyl)guanidino]-2H-1-benzopyran-6-carbonitrile
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