Chem
J-GLOBAL ID：200907095193418539   Nikkaji number：J1.974.108G

N-[(S)-(1H-Indole-3-yl)(4-hexyl-5-phenyl-4H-1,2,4-triazole-3-yl)methyl]carbamic acid benzyl ester

N-[(S)-(1H-インドール-3-イル)(4-ヘキシル-5-フェニル-4H-1,2,4-トリアゾール-3-イル)メチル]カルバミド酸ベンジル
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： C31H33N5O2
Molecular formula furigana： C31-H33-N5-O2
Molecular weight： 507.638
InChI： InChI=1S/C31H33N5O2/c1-2-3-4-13-20-36-29(24-16-9-6-10-17-24)34-35-30(36)28(26-21-32-27-19-12-11-18-25(26)27)33-31(37)38-22-23-14-7-5-8-15-23/h5-12,14-19,21,28,32H,2-4,13,20,22H2,1H3,(H,33,37)/t28-/m0/s1
InChI key： SULRTRRZZMHWBG-NDEPHWFRSA-N
SMILES： CCCCCCn1c(nnc1c1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1c[nH]c2ccccc12
Systematic name  (3)：
  • N-[(S)-(1H-インドール-3-イル)(4-ヘキシル-5-フェニル-4H-1,2,4-トリアゾール-3-イル)メチル]カルバミド酸ベンジル
  • ベンジル N-[(S)-(4-ヘキシル-5-フェニル-4H-1,2,4-トリアゾール-3-イル)(1H-インドール-3-イル)メチル]カルバマート
  • benzyl N-[(S)-(4-hexyl-5-phenyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl]carbamate
Other name (1)：
  • N-[(S)-(1H-Indole-3-yl)(4-hexyl-5-phenyl-4H-1,2,4-triazole-3-yl)methyl]carbamic acid benzyl ester
Thsaurus map：
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