Chem
J-GLOBAL ID：200907002289537298   Nikkaji number：J690.244H

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

3,4-ジヒドロ-2,2-ジメチル-3α-ヒドロキシ-4β-[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+/m0/s1
InChI key： SADDEOBQPPLBOL-ZWKOTPCHSA-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-3α-ヒドロキシ-4β-[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'-[(3R,4S)-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'-[(3R,4S)-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-3α-hydroxy-4β-[2-cyano-3-(3-chlorophenyl)guanidino]-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
Thesaurus Map

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