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RPK

Summary
Name:N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
Formula:C19 H16 Cl N3 O2
Formal charge:0
Formula weight:353.802 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)=O
InChIInChI1.06InChI=1S/C19H16ClN3O2/c1-12(24)22-16-6-5-14-10-21-11-18(17(14)9-16)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyInChI1.06CKGZDMAYPZCRDY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385CC(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

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PDB entries from 2024-07-17

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