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ONU

Summary
Name:4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H19 N3 O3
Formal charge:0
Formula weight:349.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one
OpenEye OEToolkits2.0.74-[3-[(2-methoxyphenyl)amino]azetidin-1-yl]carbonyl-1~{H}-quinolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1
InChIInChI1.06InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24)
InChIKeyInChI1.06DFIJRDVINKLDBU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34
SMILESCACTVS3.385COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4
SMILESOpenEye OEToolkits2.0.7COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4

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数据于2024-07-24公开中

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