7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

HCID 11319180

基本情報

標準SMILES: CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C(O)c4cccc[n+]4[O-])cc2)CCN3)cc1
InChIKey: XZFFECHCOKRCSS-UHFFFAOYSA-N
分子式: C35H37N3O5
平均分子量: 579.7 g/mol
単同位体質量: 579.27332129

優先名称: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide
IUPAC: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

7 件

HRID 144561反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 195274反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211863反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 943710反応物としてValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1148499反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1571571反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2323946反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

読み込み中…

標準SMILES: CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C(O)c4cccc[n+]4[O-])cc2)CCN3)cc1
InChIKey: XZFFECHCOKRCSS-UHFFFAOYSA-N
分子式: C35H37N3O5
平均分子量: 579.7 g/mol
単同位体質量: 579.27332129

優先名称: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide
IUPAC: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

7 件