Chem
J-GLOBAL ID:200907096445153971   Nikkaji number:J2.632.576E

3,3-Dimethyl-5α-phenyl-6α-[(2-benzyl-3,3-dimethyl-5-oxo-1-pyrazolidinyl)carbonyl]-2,3,6,7-tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1-one

1-ベンジル-2-[(1S,2R)-7,7-ジメチル-5-オキソ-1-フェニル-ヘキサヒドロ-[1,2]ジアゾロ[1,2-a]ピラゾール-2-カルボニル]-5,5-ジメチルピラゾリジン-3-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: C27H32N4O3
Molecular formula furigana: C27-H32-N4-O3
Molecular weight: 460.578
InChI: InChI=1S/C27H32N4O3/c1-26(2)16-23(33)30(29(26)17-19-11-7-5-8-12-19)25(34)21-18-28-22(32)15-27(3,4)31(28)24(21)20-13-9-6-10-14-20/h5-14,21,24H,15-18H2,1-4H3/t21-,24-/m1/s1
InChI key: VQKMBPWMLGNKHO-ZJSXRUAMSA-N
SMILES: CC1(C)CC(=O)N(N1Cc1ccccc1)C(=O)[C@@H]1CN2N([C@@H]1c1ccccc1)C(C)(C)CC2=O
Systematic name  (3):
  • 3,3-ジメチル-5α-フェニル-6α-[(2-ベンジル-3,3-ジメチル-5-オキソ-1-ピラゾリジニル)カルボニル]-2,3,6,7-テトラヒドロ-1H,5H-ピラゾロ[1,2-a]ピラゾール-1-オン
  • 1-ベンジル-2-[(1S,2R)-7,7-ジメチル-5-オキソ-1-フェニル-ヘキサヒドロ-[1,2]ジアゾロ[1,2-a]ピラゾール-2-カルボニル]-5,5-ジメチルピラゾリジン-3-オン
  • 1-benzyl-2-[(1S,2R)-7,7-dimethyl-5-oxo-1-phenyl-hexahydro-[1,2]diazolo[1,2-a]pyrazole-2-carbonyl]-5,5-dimethylpyrazolidin-3-one
Other name (1):
  • 3,3-Dimethyl-5α-phenyl-6α-[(2-benzyl-3,3-dimethyl-5-oxo-1-pyrazolidinyl)carbonyl]-2,3,6,7-tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1-one
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