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Summary

Name:3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one
Formula:C19 H20 N2 O2
Formal charge:0
Molecular weight:308.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one
OpenEye OEToolkits1.7.63-[4-[(dimethylamino)methyl]phenyl]-5-methoxy-2H-isoquinolin-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c3cccc(OC)c3C=C(c1ccc(cc1)CN(C)C)N2
InChIInChI1.03InChI=1S/C19H20N2O2/c1-21(2)12-13-7-9-14(10-8-13)17-11-16-15(19(22)20-17)5-4-6-18(16)23-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyInChI1.03GXNFWDRMXAHNFL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc2C(=O)NC(=Cc12)c3ccc(CN(C)C)cc3
SMILESCACTVS3.385COc1cccc2C(=O)NC(=Cc12)c3ccc(CN(C)C)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2
SMILESOpenEye OEToolkits1.7.6CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2