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WKN

Summary
Name:3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol
Formula:C17 H16 N2 O2
Formal charge:0
Formula weight:280.321 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol
OpenEye OEToolkits2.0.73-[(4-methyl-3-phenoxy-phenyl)methyl]-1~{H}-pyrazol-5-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccc(cc1Oc1ccccc1)Cc1cc(O)[NH]n1
InChIInChI1.06InChI=1S/C17H16N2O2/c1-12-7-8-13(9-14-11-17(20)19-18-14)10-16(12)21-15-5-3-2-4-6-15/h2-8,10-11H,9H2,1H3,(H2,18,19,20)
InChIKeyInChI1.06GPXFNGBPPBGNJG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(Cc2cc(O)[nH]n2)cc1Oc3ccccc3
SMILESCACTVS3.385Cc1ccc(Cc2cc(O)[nH]n2)cc1Oc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1Oc2ccccc2)Cc3cc([nH]n3)O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1Oc2ccccc2)Cc3cc([nH]n3)O

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건을2024-07-10부터공개중

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