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Summary

Name:ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Synonyms:Retigabine
Formula:C16 H18 F N3 O2
Formal charge:0
Molecular weight:303.331 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKeyInChI1.03PCOBBVZJEWWZFR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
SMILESCACTVS3.385CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
SMILESOpenEye OEToolkits2.0.7CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
169963
PDB entries from 2020-10-14