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Q1U

Summary
Name:2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
Formula:C18 H15 Cl N2 O2
Formal charge:0
Formula weight:326.777 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-(6-methoxyisoquinolin-4-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC
InChIInChI1.06InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyInChI1.06RPTKBNCKDMLWOT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

218853

PDB entries from 2024-04-24

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