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RL8

Summary
Name:4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide
Formula:C19 H16 Cl N3 O2
Formal charge:0
Formula weight:353.802 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide
OpenEye OEToolkits2.0.74-[2-(3-chlorophenyl)ethanoylamino]-~{N}-methyl-isoquinoline-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)NC
InChIInChI1.06InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)
InChIKeyInChI1.06MQGFIRADDQPUFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

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PDB entries from 2024-07-17

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