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DN8

Summary
Name:3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:C14 H10 Br N5 O
Formal charge:0
Formula weight:344.166 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
OpenEye OEToolkits1.7.63-bromanyl-N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChIInChI1.03InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyInChI1.03HXGCQRJRUHDKKD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Brc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILESCACTVS3.370Brc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3

217705

PDB entries from 2024-03-27

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