Chem
J-GLOBAL ID:200907017089947774   Nikkaji number:J2.557.232G

4-[[4-(2-Ethyl-3-benzyl-5-nitro-3H-imidazole-4-yl)piperazino]methyl]-7-methyl-2H-1-benzopyran-2-one

4-[[4-(2-エチル-3-ベンジル-5-ニトロ-3H-イミダゾール-4-イル)ピペラジノ]メチル]-7-メチル-2H-1-ベンゾピラン-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: C27H29N4[N+]O3[O-]
Molecular formula furigana: C27-H29-N5-O4
Molecular weight: 487.560
InChI: InChI=1S/C27H29N5O4/c1-3-24-28-26(32(34)35)27(31(24)17-20-7-5-4-6-8-20)30-13-11-29(12-14-30)18-21-16-25(33)36-23-15-19(2)9-10-22(21)23/h4-10,15-16H,3,11-14,17-18H2,1-2H3
InChI key: COICILWADKSGCD-UHFFFAOYSA-N
SMILES: CCc1nc(c(N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)n1Cc1ccccc1)[N+](=O)[O-]
Systematic name  (3):
  • 4-[[4-(2-エチル-3-ベンジル-5-ニトロ-3H-イミダゾール-4-イル)ピペラジノ]メチル]-7-メチル-2H-1-ベンゾピラン-2-オン
  • 4-{[4-(1-ベンジル-2-エチル-4-ニトロ-1H-イミダゾール-5-イル)ピペラジン-1-イル]メチル}-7-メチル-2H-クロメン-2-オン
  • 4-{[4-(1-benzyl-2-ethyl-4-nitro-1H-imidazol-5-yl)piperazin-1-yl]methyl}-7-methyl-2H-chromen-2-one
Other name (1):
  • 4-[[4-(2-Ethyl-3-benzyl-5-nitro-3H-imidazole-4-yl)piperazino]methyl]-7-methyl-2H-1-benzopyran-2-one
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