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KHU

Summary
Name:N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide
Formula:C21 H16 F N5 O2
Formal charge:0
Formula weight:389.382 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxidanylidene-pyridazin-1-yl]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)Nc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F
InChIInChI1.03InChI=1S/C21H16FN5O2/c1-14(28)24-15-5-4-6-16(13-15)26-12-10-20(29)21(25-26)19-9-11-23-27(19)18-8-3-2-7-17(18)22/h2-13H,1H3,(H,24,28)
InChIKeyInChI1.03UROQMGYHXBJWAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F
SMILESCACTVS3.385CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F

222415

数据于2024-07-10公开中

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