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60R

Summary
Name:6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one
Formula:C23 H16 F N O3
Formal charge:0
Formula weight:373.376 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.46-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H16FNO3/c24-16-6-7-18-19(17-4-2-1-3-15(17)12-27-22(18)11-16)9-14-5-8-21-20(10-14)25-23(26)13-28-21/h1-11H,12-13H2,(H,25,26)/b19-9+
InChIKeyInChI1.03IGQHIUNZKLGBMZ-DJKKODMXSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2c(OCc3ccccc3\C2=C/c4ccc5OCC(=O)Nc5c4)c1
SMILESCACTVS3.385Fc1ccc2c(OCc3ccccc3C2=Cc4ccc5OCC(=O)Nc5c4)c1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F
SMILESOpenEye OEToolkits2.0.4c1ccc2c(c1)COc3cc(ccc3C2=Cc4ccc5c(c4)NC(=O)CO5)F

222415

数据于2024-07-10公开中

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