Chem
J-GLOBAL ID：200907001174185758   Nikkaji number：J449.398B

(+)-N-[[(5S)-9-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine]-2-yl]carbamic acid methyl ester

(+)-N-[[(5S)-9-クロロ-4,5,6,7-テトラヒドロ-5-メチル-6-(3-メチル-2-ブテニル)イミダゾ[4,5,1-jk][1,4]ベンゾジアゼピン]-2-イル]カルバミド酸メチル
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： C18H23ClN4O2
Molecular formula furigana： C18-H23-CL-N4-O2
Molecular weight： 362.860
InChI： InChI=1S/C18H23ClN4O2/c1-11(2)5-6-22-10-13-7-14(19)8-15-16(13)23(9-12(22)3)17(20-15)21-18(24)25-4/h5,7-8,12H,6,9-10H2,1-4H3,(H,20,21,24)/t12-/m0/s1
InChI key： RTCDKTPPMZMKBH-LBPRGKRZSA-N
SMILES： COC(=O)Nc1nc2cc(Cl)cc3CN(CC=C(C)C)[C@@H](C)Cn1c23
Systematic name  (3)：
  • (+)-N-[[(5S)-9-クロロ-4,5,6,7-テトラヒドロ-5-メチル-6-(3-メチル-2-ブテニル)イミダゾ[4,5,1-jk][1,4]ベンゾジアゼピン]-2-イル]カルバミド酸メチル
  • メチル N-[(11S)-6-クロロ-11-メチル-10-(3-メチルブタ-2-エン-1-イル)-1,3,10-トリアザトリシクロ[6.4.1.04,13]トリデカ-2,4,6,8(13)-テトラエン-2-イル]カルバマート
  • methyl N-[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]carbamate
Other name (1)：
  • (+)-N-[[(5S)-9-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine]-2-yl]carbamic acid methyl ester
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