Chem
J-GLOBAL ID：200907033655736315
Nikkaji number：J1.957.446F
N-[2-(4-Cyanobenzoyl)-5-[1-methyl-3-oxo-3-(diethylamino)-1-propenyl]benzofuran-3-yl]-5-methylisoxazole-3-carboxamide
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]-5-メチルイソオキサゾール-3-カルボアミド
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(34)13-17(3)21-11-12-24-22(15-21)26(31-29(36)23-14-18(4)38-32-23)28(37-24)27(35)20-9-7-19(16-30)8-10-20/h7-15H,5-6H2,1-4H3,(H,31,36)
InChI key：
UCZCYBTYAYLZIY-UHFFFAOYSA-N
SMILES：
CCN(CC)C(=O)C=C(C)c1ccc2oc(C(=O)c3ccc(cc3)C#N)c(NC(=O)c3cc(C)on3)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]-5-メチルイソオキサゾール-3-カルボアミド
- 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]-5-メチル-1,2-オキサゾール-3-カルボキサミド
- N-[2-(4-cyanobenzoyl)-5-[1-(diethylcarbamoyl)prop-1-en-2-yl]-1-benzofuran-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
- N-[2-(4-Cyanobenzoyl)-5-[1-methyl-3-oxo-3-(diethylamino)-1-propenyl]benzofuran-3-yl]-5-methylisoxazole-3-carboxamide
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