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Y81

Summary
Name:4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Formula:C20 H15 N3 O2
Formal charge:0
Formula weight:329.352 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
OpenEye OEToolkits1.9.24-(5-phenylpyridin-3-yl)carbonyl-1,3-dihydroquinoxalin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CC(Nc2c1cccc2)=O)c3cncc(c3)c4ccccc4
InChIInChI1.03InChI=1S/C20H15N3O2/c24-19-13-23(18-9-5-4-8-17(18)22-19)20(25)16-10-15(11-21-12-16)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)
InChIKeyInChI1.03JAGBWIHWQBQGAX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1CN(C(=O)c2cncc(c2)c3ccccc3)c4ccccc4N1
SMILESCACTVS3.385O=C1CN(C(=O)c2cncc(c2)c3ccccc3)c4ccccc4N1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4

222415

数据于2024-07-10公开中

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