KYY

?

Summary

Name:2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
Formula:C17 H12 F N5 O3
Formal charge:0
Molecular weight:353.307 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
OpenEye OEToolkits2.0.72-[[3-fluoranyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-3-oxidanyl-1-benzofuran-7-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(c(cc1Cc3oc2c(cccc2c3O)C(=O)N)F)c4nnnn4
InChIInChI1.03InChI=1S/C17H12FN5O3/c18-12-6-8(4-5-9(12)17-20-22-23-21-17)7-13-14(24)10-2-1-3-11(16(19)25)15(10)26-13/h1-6,24H,7H2,(H2,19,25)(H,20,21,22,23)
InChIKeyInChI1.03QEAANEIMWKHZNN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cccc2c(O)c(Cc3ccc(c(F)c3)c4[nH]nnn4)oc12
SMILESCACTVS3.385NC(=O)c1cccc2c(O)c(Cc3ccc(c(F)c3)c4[nH]nnn4)oc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O
SMILESOpenEye OEToolkits2.0.7c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O