Chem
J-GLOBAL ID:200907084062947054   Nikkaji number:J2.721.045G

3a,7-(3,5-Dioxo-4-phenyl-2,3,4,5-tetrahydro-1H-1,2,4-triazole-1,2-diyl)-1,2,3,3a,4,7-hexahydroazulene-1-one

4-フェニル-2,4,6-トリアザテトラシクロ[5.5.3.01,9.02,6]ペンタデカ-8,14-ジエン-3,5,10-トリオン
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: C18H15N3O3
Molecular formula furigana: C18-H15-N3-O3
Molecular weight: 321.336
InChI: InChI=1S/C18H15N3O3/c22-15-8-10-18-9-4-7-13(11-14(15)18)20-16(23)19(17(24)21(18)20)12-5-2-1-3-6-12/h1-7,11,13H,8-10H2
InChI key: RTLSUXFOKDCCRP-UHFFFAOYSA-N
SMILES: O=C1CCC23CC=CC(C=C12)n1n3c(=O)n(c2ccccc2)c1=O
Systematic name  (3):
  • 3a,7-(3,5-ジオキソ-4-フェニル-2,3,4,5-テトラヒドロ-1H-1,2,4-トリアゾール-1,2-ジイル)-1,2,3,3a,4,7-ヘキサヒドロアズレン-1-オン
  • 4-フェニル-2,4,6-トリアザテトラシクロ[5.5.3.01,9.02,6]ペンタデカ-8,14-ジエン-3,5,10-トリオン
  • 4-phenyl-2,4,6-triazatetracyclo[5.5.3.01,9.02,6]pentadeca-8,14-diene-3,5,10-trione
Other name (1):
  • 3a,7-(3,5-Dioxo-4-phenyl-2,3,4,5-tetrahydro-1H-1,2,4-triazole-1,2-diyl)-1,2,3,3a,4,7-hexahydroazulene-1-one
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