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QX9

Summary
Name:2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide
Formula:C18 H15 Cl N2 O
Formal charge:0
Formula weight:310.778 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(C)cc21
InChIInChI1.06InChI=1S/C18H15ClN2O/c1-12-5-6-14-10-20-11-17(16(14)7-12)21-18(22)9-13-3-2-4-15(19)8-13/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyInChI1.06BSUXNZPXAUGDQM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385Cc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7Cc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

227111

건을2024-11-06부터공개중

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