Chem
J-GLOBAL ID：200907056164793066
Nikkaji number：J1.000.717H
4-Methyl-5-[3-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-4-ethyl-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
4-メチル-5-[3-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-4-エチル-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： C26H27F3N4O3
Molecular formula furigana： C26-H27-F3-N4-O3
Molecular weight： 500.522
InChI：
InChI=1S/C26H27F3N4O3/c1-4-12-36-22(34)11-8-17-14-30-20(15(17)3)13-21-23(19(5-2)24(35)31-21)16-6-9-18(10-7-16)25(32-33-25)26(27,28)29/h4,6-7,9-10,13-14,19,23,30H,1,5,8,11-12H2,2-3H3,(H,31,35)
InChI key：
RWZXPBKINVHJKG-UHFFFAOYSA-N
SMILES：
CCC1C(C(=Cc2[nH]cc(CCC(=O)OCC=C)c2C)NC1=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name (3)：
- 4-メチル-5-[3-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-4-エチル-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-{5-[(4-エチル-5-オキソ-3-{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]-4-メチル-1H-ピロール-3-イル}プロパノアート
- prop-2-en-1-yl 3-{5-[(4-ethyl-5-oxo-3-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}pyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl}propanoate
- 4-Methyl-5-[3-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-4-ethyl-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
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