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RIU

Summary
Name:2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
Formula:C21 H22 Cl N3 O2
Formal charge:0
Formula weight:383.871 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-[6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C
InChIInChI1.06InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyInChI1.06XNJZKRXHKUJCAT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)CCOc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CN(C)CCOc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

225946

PDB entries from 2024-10-09

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