DKR

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Summary

Name:N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Formula:C13 H14 N2 O
Formal charge:0
Molecular weight:214.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
InChIKeyInChI1.03QNGNTDZXTCCSEP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(CNC(=O)c2[nH]ccc2)cc1
SMILESCACTVS3.385Cc1ccc(CNC(=O)c2[nH]ccc2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)CNC(=O)c2ccc[nH]2
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)CNC(=O)c2ccc[nH]2
167518
PDB entries from 2020-08-12