Chem
J-GLOBAL ID：200907033109582960
Nikkaji number：J1.957.447D
N-[2-(4-Cyanobenzoyl)-5-[1-methyl-3-oxo-3-(diethylamino)-1-propenyl]benzofuran-3-yl]-2-cyano-3-hydroxy-2-butenamide
2-シアノ-N-[2-(4-シアノベンゾイル)-5-[1-(ジエチルカルバモイル)プロパ-1-エン-2-イル]-1-ベンゾフラン-3-イル]-3-ヒドロキシブタ-2-エンアミド
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： C29H26N4O5
Molecular formula furigana： C29-H26-N4-O5
Molecular weight： 510.550
InChI：
InChI=1S/C29H26N4O5/c1-5-33(6-2)25(35)13-17(3)21-11-12-24-22(14-21)26(32-29(37)23(16-31)18(4)34)28(38-24)27(36)20-9-7-19(15-30)8-10-20/h7-14,34H,5-6H2,1-4H3,(H,32,37)
InChI key：
XNKVKPDZYYECOF-UHFFFAOYSA-N
SMILES：
CCN(CC)C(=O)C=C(C)c1ccc2oc(C(=O)c3ccc(cc3)C#N)c(NC(=O)C(=C(C)O)C#N)c2c1
Systematic name (3)：
- N-[2-(4-シアノベンゾイル)-5-[1-メチル-3-オキソ-3-(ジエチルアミノ)-1-プロペニル]ベンゾフラン-3-イル]-2-シアノ-3-ヒドロキシ-2-ブテンアミド
- 2-シアノ-N-[2-(4-シアノベンゾイル)-5-[1-(ジエチルカルバモイル)プロパ-1-エン-2-イル]-1-ベンゾフラン-3-イル]-3-ヒドロキシブタ-2-エンアミド
- 2-cyano-N-[2-(4-cyanobenzoyl)-5-[1-(diethylcarbamoyl)prop-1-en-2-yl]-1-benzofuran-3-yl]-3-hydroxybut-2-enamide
- N-[2-(4-Cyanobenzoyl)-5-[1-methyl-3-oxo-3-(diethylamino)-1-propenyl]benzofuran-3-yl]-2-cyano-3-hydroxy-2-butenamide
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