Chem
J-GLOBAL ID:200907017122395987   Nikkaji number:J1.143.691I

1-[3-(3-Isopropylureido)benzyl]-3-[3-(1H-indazole-5-yl)ureido]-4,5-dihydro-1H-1-benzazepine-2(3H)-one

1-[3-(3-イソプロピルウレイド)ベンジル]-3-[3-(1H-インダゾール-5-イル)ウレイド]-4,5-ジヒドロ-1H-1-ベンゾアゼピン-2(3H)-オン
Substance type:
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
Molecular formula: C29H31N7O3
Molecular formula furigana: C29-H31-N7-O3
Molecular weight: 525.613
InChI: InChI=1S/C29H31N7O3/c1-18(2)31-28(38)32-22-8-5-6-19(14-22)17-36-26-9-4-3-7-20(26)10-12-25(27(36)37)34-29(39)33-23-11-13-24-21(15-23)16-30-35-24/h3-9,11,13-16,18,25H,10,12,17H2,1-2H3,(H,30,35)(H2,31,32,38)(H2,33,34,39)
InChI key: BRLBNIBPJJVSFE-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ncc4c3)C2=O)c1
Systematic name  (3):
  • 1-[3-(3-イソプロピルウレイド)ベンジル]-3-[3-(1H-インダゾール-5-イル)ウレイド]-4,5-ジヒドロ-1H-1-ベンゾアゼピン-2(3H)-オン
  • 3-(1H-インダゾール-5-イル)-1-{2-オキソ-1-[(3-{[(プロパン-2-イル)カルバモイル]アミノ}フェニル)メチル]-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-3-イル}尿素
  • 3-(1H-indazol-5-yl)-1-{2-oxo-1-[(3-{[(propan-2-yl)carbamoyl]amino}phenyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl}urea
Other name (1):
  • 1-[3-(3-Isopropylureido)benzyl]-3-[3-(1H-indazole-5-yl)ureido]-4,5-dihydro-1H-1-benzazepine-2(3H)-one
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