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LY2

Summary
Name:2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
Synonyms:2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
Formula:C19 H17 N O3
Formal charge:0
Formula weight:307.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-morpholin-4-yl-8-phenyl-4H-chromen-4-one
OpenEye OEToolkits1.5.02-morpholin-4-yl-8-phenyl-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
SMILES_CANONICALCACTVS3.341O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
SMILESCACTVS3.341O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4
InChIInChI1.03InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyInChI1.03CZQHHVNHHHRRDU-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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