Chem
J-GLOBAL ID：201707000386949231   Nikkaji number：J3.639.829I

1-Methyl-4-[1-oxo-7-(1,3,5-trimethyl-1H-pyrazole-4-yl)-8-chloro-11-[3-(3,5-dimethyl-4-chlorophenoxy)propyl]-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole-2-yl]-1H-indole-6-carboxylic acid

4-{8-クロロ-11-[3-(4-クロロ-3,5-ジメチルフェノキシ)プロピル]-1-オキソ-7-(1,3,5-トリメチル-1H-ピラゾール-4-イル)-1H,2H,3H,4H,5H-[1,4]ジアゼピノ[1,2-a]インドール-2-イル}-1-メチル-1H-インドール-6-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： C39H39Cl2N5O4
Molecular formula furigana： C39-H39-CL2-N5-O4
Molecular weight： 712.670
InChI： InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-10-11-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-14-8-13-45(38(47)37(27)46)32-20-25(39(48)49)19-31-29(32)12-15-43(31)5/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49)
InChI key： BDINUPBROUJUMH-UHFFFAOYSA-N
SMILES： Cc1nn(C)c(C)c1c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)ccc12)C(=O)O
Systematic name  (3)：
  • 1-メチル-4-[1-オキソ-7-(1,3,5-トリメチル-1H-ピラゾール-4-イル)-8-クロロ-11-[3-(3,5-ジメチル-4-クロロフェノキシ)プロピル]-2,3,4,5-テトラヒドロ-1H-[1,4]ジアゼピノ[1,2-a]インドール-2-イル]-1H-インドール-6-カルボン酸
  • 4-{8-クロロ-11-[3-(4-クロロ-3,5-ジメチルフェノキシ)プロピル]-1-オキソ-7-(1,3,5-トリメチル-1H-ピラゾール-4-イル)-1H,2H,3H,4H,5H-[1,4]ジアゼピノ[1,2-a]インドール-2-イル}-1-メチル-1H-インドール-6-カルボン酸
  • 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H,2H,3H,4H,5H-[1,4]diazepino[1,2-a]indol-2-yl}-1-methyl-1H-indole-6-carboxylic acid
Other name (1)：
  • 1-Methyl-4-[1-oxo-7-(1,3,5-trimethyl-1H-pyrazole-4-yl)-8-chloro-11-[3-(3,5-dimethyl-4-chlorophenoxy)propyl]-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole-2-yl]-1H-indole-6-carboxylic acid
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