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OIX

Summary
Name:N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
Formula:C19 H18 N2 O3
Formal charge:0
Formula weight:322.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
OpenEye OEToolkits2.0.7~{N}-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccccc1OCCNC(=O)c1cncc2ccccc21
InChIInChI1.06InChI=1S/C19H18N2O3/c1-23-17-8-4-5-9-18(17)24-11-10-21-19(22)16-13-20-12-14-6-2-3-7-15(14)16/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyInChI1.06SWRAJWUUCVFLBR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1OCCNC(=O)c2cncc3ccccc23
SMILESCACTVS3.385COc1ccccc1OCCNC(=O)c2cncc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)c2cncc3c2cccc3
SMILESOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)c2cncc3c2cccc3

222926

数据于2024-07-24公开中

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