Chem
J-GLOBAL ID：200907078313804932
Nikkaji number：J1.000.718F
4-Methyl-5-[3-methyl-4-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
4-メチル-5-[3-メチル-4-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-5-オキソピロリジン-2-イリデンメチル]-1H-ピロール-3-プロピオン酸アリル
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
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
Molecular formula： C25H25F3N4O3
Molecular formula furigana： C25-H25-F3-N4-O3
Molecular weight： 486.495
InChI：
InChI=1S/C25H25F3N4O3/c1-4-11-35-21(33)10-7-17-13-29-19(14(17)2)12-20-15(3)22(23(34)30-20)16-5-8-18(9-6-16)24(31-32-24)25(26,27)28/h4-6,8-9,12-13,15,22,29H,1,7,10-11H2,2-3H3,(H,30,34)
InChI key：
CSJBXHMKOUSATD-UHFFFAOYSA-N
SMILES：
CC1C(C(=O)NC1=Cc1[nH]cc(CCC(=O)OCC=C)c1C)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name (3)：
- 4-メチル-5-[3-メチル-4-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-5-オキソピロリジン-2-イリデンメチル]-1H-ピロール-3-プロピオン酸アリル
- プロパ-2-エン-1-イル 3-{4-メチル-5-[(3-メチル-5-オキソ-4-{4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}ピロリジン-2-イリデン)メチル]-1H-ピロール-3-イル}プロパノアート
- prop-2-en-1-yl 3-{4-methyl-5-[(3-methyl-5-oxo-4-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}pyrrolidin-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoate
- 4-Methyl-5-[3-methyl-4-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
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