BN 52256
HIT212715190
sdf文件结构编辑类似物检索
HIT ID: HIT212715190
Cas No: 135472-91-2
分子式: C19H19NOSe
分子量: 356.338
常用名: BN 52256
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 2.4595
IUPAC: 2-(1-methylpiperidin-4-ylidene)-6-selenatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
IUPAC: 2-(1-methylpiperidin-4-ylidene)-6-selenatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
SMILES: [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cc[se]c2-[#6](=O)-[#6]-c2ccccc-12
SMILES: [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cc[se]c2-[#6](=O)-[#6]-c2ccccc-12
InChI key: VRLFMTNYDWKTEJ-UHFFFAOYSA-N
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