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96N

Summary
Name:4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide
Synonyms:XDM4
Formula:C21 H22 N2 O2
Formal charge:0
Formula weight:334.412 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H22N2O2/c1-4-17-19(14(3)24)13(2)23-20(17)21(25)22-12-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,23H,4,12H2,1-3H3,(H,22,25)
InChIKeyInChI1.03PDRFAPMZSRHWMA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23
SMILESCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.6CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C
SMILESOpenEye OEToolkits2.0.6CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C

218853

PDB entries from 2024-04-24

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