Chem
J-GLOBAL ID：200907049076312647
Nikkaji number：J1.478.737B
(3R)-1-Phenyl-3-[(3-aminopyridine-4-yl)carbonylamino]-9-amino-3,4,6,7-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepine-4-one
(3R)-1-フェニル-3-[(3-アミノピリジン-4-イル)カルボニルアミノ]-9-アミノ-3,4,6,7-テトラヒドロピロロ[3,2,1-jk][1,4]ベンゾジアゼピン-4-オン
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： C23H20N6O2
Molecular formula furigana： C23-H20-N6-O2
Molecular weight： 412.453
InChI：
InChI=1S/C23H20N6O2/c24-15-10-14-7-9-29-20(14)17(11-15)19(13-4-2-1-3-5-13)27-21(23(29)31)28-22(30)16-6-8-26-12-18(16)25/h1-6,8,10-12,21H,7,9,24-25H2,(H,28,30)/t21-/m0/s1
InChI key：
DOEZEEWEYXCSLV-NRFANRHFSA-N
SMILES：
Nc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1ccncc1N)C3=O)c1ccccc1
Systematic name (3)：
- (3R)-1-フェニル-3-[(3-アミノピリジン-4-イル)カルボニルアミノ]-9-アミノ-3,4,6,7-テトラヒドロピロロ[3,2,1-jk][1,4]ベンゾジアゼピン-4-オン
- 3-アミノ-N-[(11R)-6-アミノ-12-オキソ-9-フェニル-1,10-ジアザトリシクロ[6.4.1.04,13]トリデカ-4(13),5,7,9-テトラエン-11-イル]ピリジン-4-カルボキサミド
- 3-amino-N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
- (3R)-1-Phenyl-3-[(3-aminopyridine-4-yl)carbonylamino]-9-amino-3,4,6,7-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepine-4-one
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