Chem
J-GLOBAL ID：200907046395306804   Nikkaji number：J1.041.038J

L-740093S

3-[(3S)-5-{3-アザビシクロ[3.2.2]ノナン-3-イル}-1-メチル-2-オキソ-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]-1-(3-メチルフェニル)尿素
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： C26H31N5O2
Molecular formula furigana： C26-H31-N5-O2
Molecular weight： 445.567
InChI： InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m1/s1
InChI key： QYERABWMFRRINX-MTNXOHHFSA-N
SMILES： CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1
Systematic name  (3)：
  • 1-[[(3S)-2,3-ジヒドロ-1-メチル-2-オキソ-5-(3-アザビシクロ[3.2.2]ノナン-3-イル)-1H-1,4-ベンゾジアゼピン]-3-イル]-3-(3-メチルフェニル)尿素
  • 3-[(3S)-5-{3-アザビシクロ[3.2.2]ノナン-3-イル}-1-メチル-2-オキソ-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]-1-(3-メチルフェニル)尿素
  • 3-[(3S)-5-{3-azabicyclo[3.2.2]nonan-3-yl}-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea
Other name (2)：
  • 1-[[(3S)-2,3-Dihydro-1-methyl-2-oxo-5-(3-azabicyclo[3.2.2]nonane-3-yl)-1H-1,4-benzodiazepine]-3-yl]-3-(3-methylphenyl)urea
  • L-740093S
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