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RM3

Summary
Name:2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
Formula:C19 H18 Cl N3 O
Formal charge:0
Formula weight:339.819 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-[7-(dimethylamino)isoquinolin-4-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)N(C)C
InChIInChI1.06InChI=1S/C19H18ClN3O/c1-23(2)16-6-7-17-14(10-16)11-21-12-18(17)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)
InChIKeyInChI1.06VLCYSYPHYNBYLW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1
SMILESCACTVS3.385CN(C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CN(C)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl

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PDB entries from 2024-07-17

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