Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

DN3

Summary
Name:3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:C17 H18 N6 O
Formal charge:0
Formula weight:322.364 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cccc(c1)CN(C)C)Nc2cccc(c2)c3nnnn3
InChIInChI1.03InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyInChI1.03YNFKRUNLXWQDEZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILESCACTVS3.370CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILESOpenEye OEToolkits1.7.6CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon