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DN6

Summary
Name:N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Formula:C15 H10 F3 N5 O
Formal charge:0
Formula weight:333.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
OpenEye OEToolkits1.7.6N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChIInChI1.03InChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
InChIKeyInChI1.03DVYVZPGHRBVPAG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILESCACTVS3.370FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3

222415

数据于2024-07-10公开中

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