HCID19381237

9-(3-Cyanophenyl)-3,4,5,6,7,8,9,10-octahydro-1(2H)-acridineone

3-(8-oxo-2,3,4,5,6,7,9,10-octahydro-1H-acridin-9-yl)benzonitrile

C20H20N2O304.4 g/mol

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IDENTITY

结构与身份

标准SMILES: N#Cc1cccc(C2C3=C(CCCC3)NC3=C2C(=O)CCC3)c1
InChIKey: PMMIUHRHAKFNBR-UHFFFAOYSA-N
分子式: C20H20N2O
平均分子量: 304.4 g/mol
单同位素质量: 304.15756327

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 52.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 23
形式电荷: 0
复杂度: 633

ALIASES

名称与别名

共 4 条

SCHEMBL7836158PMMIUHRHAKFNBR-UHFFFAOYSA-N9 -(3-Cyanophenyl)-3,4,5,6,7,8,9,10-octahydro-1(2H)-acridineone9-(3-Cyanophenyl)-3,4,5,6,7,8,9,10-octahydro-1(2H)-acridineone

REACTIONS

参与反应

3 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05622964

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1995_10 · 10.6084/m9.figshare.5104873.v1 · US05455253

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