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A1B9N

Summary
Name:3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
Formula:C15 H13 Cl N6 O
Formal charge:0
Formula weight:328.756 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
OpenEye OEToolkits3.1.0.03-(aminomethyl)-5-chloranyl-~{N}-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NCc1cc(cc(Cl)c1)C(=O)Nc1cccc(c1)c1n[NH]nn1
InChIInChI1.06InChI=1S/C15H13ClN6O/c16-12-5-9(8-17)4-11(6-12)15(23)18-13-3-1-2-10(7-13)14-19-21-22-20-14/h1-7H,8,17H2,(H,18,23)(H,19,20,21,22)
InChIKeyInChI1.06GXTYEIDOIJJIOR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1cc(Cl)cc(c1)C(=O)Nc2cccc(c2)c3n[nH]nn3
SMILESCACTVS3.385NCc1cc(Cl)cc(c1)C(=O)Nc2cccc(c2)c3n[nH]nn3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(cc(c1)NC(=O)c2cc(cc(c2)Cl)CN)c3n[nH]nn3
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc(c1)NC(=O)c2cc(cc(c2)Cl)CN)c3n[nH]nn3

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PDB entries from 2026-02-11

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