Chem
J-GLOBAL ID：201507092653913426   Nikkaji number：J3.334.846K

2-(3-Chloro-4-cyanophenyl)-3β-cyclopentyl-3,3aα,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

2-(3-クロロ-4-シアノフェニル)-3β-シクロペンチル-3,3aα,4,5-テトラヒドロ-2H-ベンゾ[g]インダゾール-7-カルボン酸
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： C24H22ClN3O2
Molecular formula furigana： C24-H22-CL-N3-O2
Molecular weight： 419.910
InChI： InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1
InChI key： XNULRSOGWPFPBL-REWPJTCUSA-N
SMILES： OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1
Systematic name  (3)：
  • 2-(3-クロロ-4-シアノフェニル)-3β-シクロペンチル-3,3aα,4,5-テトラヒドロ-2H-ベンゾ[g]インダゾール-7-カルボン酸
  • (3S,3aR)-2-(3-クロロ-4-シアノフェニル)-3-シクロペンチル-2H,3H,3aH,4H,5H-ベンゾ[g]インダゾール-7-カルボン酸
  • (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-2H,3H,3aH,4H,5H-benzo[g]indazole-7-carboxylic acid
Other name (1)：
  • 2-(3-Chloro-4-cyanophenyl)-3β-cyclopentyl-3,3aα,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid
Thsaurus map：
Thesaurus Map

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