Chem
J-GLOBAL ID：200907052848652377   Nikkaji number：J1.932.196G

(3R)-1,3-Dihydro-1-methyl-3-[(R)-1-hydroxy-2-methyl-3-(4-methoxyphenyl)allyl]-5-phenyl-7-chloro-2H-1,4-benzodiazepine-2-one

(3R)-1,3-ジヒドロ-1-メチル-3-[(R)-1-ヒドロキシ-2-メチル-3-(4-メトキシフェニル)アリル]-5-フェニル-7-クロロ-2H-1,4-ベンゾジアゼピン-2-オン
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： C27H25ClN2O3
Molecular formula furigana： C27-H25-CL-N2-O3
Molecular weight： 460.960
InChI： InChI=1S/C27H25ClN2O3/c1-17(15-18-9-12-21(33-3)13-10-18)26(31)25-27(32)30(2)23-14-11-20(28)16-22(23)24(29-25)19-7-5-4-6-8-19/h4-16,25-26,31H,1-3H3/t25-,26-/m1/s1
InChI key： FJWGCGAXTLXVSN-CLJLJLNGSA-N
SMILES： COc1ccc(C=C(C)[C@@H](O)[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3N(C)C2=O)cc1
Systematic name  (3)：
  • (3R)-1,3-ジヒドロ-1-メチル-3-[(R)-1-ヒドロキシ-2-メチル-3-(4-メトキシフェニル)アリル]-5-フェニル-7-クロロ-2H-1,4-ベンゾジアゼピン-2-オン
  • (3R)-7-クロロ-3-[(1R)-1-ヒドロキシ-3-(4-メトキシフェニル)-2-メチルプロパ-2-エン-1-イル]-1-メチル-5-フェニル-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オン
  • (3R)-7-chloro-3-[(1R)-1-hydroxy-3-(4-methoxyphenyl)-2-methylprop-2-en-1-yl]-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Other name (1)：
  • (3R)-1,3-Dihydro-1-methyl-3-[(R)-1-hydroxy-2-methyl-3-(4-methoxyphenyl)allyl]-5-phenyl-7-chloro-2H-1,4-benzodiazepine-2-one
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