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JEJ

Summary
Name:3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one
Formula:C22 H20 Cl N3 O2
Formal charge:0
Formula weight:393.866 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one
OpenEye OEToolkits2.0.63-(2-chlorophenyl)-6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C)C)N(C)C4=O
InChIInChI1.03InChI=1S/C22H20ClN3O2/c1-25(2)13-14-8-10-15(11-9-14)18-12-19-20(22(27)26(18)3)21(24-28-19)16-6-4-5-7-17(16)23/h4-12H,13H2,1-3H3
InChIKeyInChI1.03WXMDAZVVTXLFMQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C
SMILESCACTVS3.385CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C
SMILESOpenEye OEToolkits2.0.6CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C

217705

건을2024-03-27부터공개중

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