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KRM

Summary
Name:4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE
Formula:C19 H19 N3 O2
Formal charge:0
Formula weight:321.373 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
OpenEye OEToolkits1.6.14-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n3nc(c2ccc(Oc1ccccc1)cc2)cc3N4CCOCC4
SMILES_CANONICALCACTVS3.352C1CN(CCO1)c2cc([nH]n2)c3ccc(Oc4ccccc4)cc3
SMILESCACTVS3.352C1CN(CCO1)c2cc([nH]n2)c3ccc(Oc4ccccc4)cc3
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4
SMILESOpenEye OEToolkits1.6.1c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4
InChIInChI1.03InChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
InChIKeyInChI1.03WQWBZRVAFAMASC-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

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