Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1BNL

Summary
Name:N-[4-(5-benzamido-1-methyl-1H-pyrazol-3-yl)phenyl]-2-chlorobenzamide
Formula:C24 H19 Cl N4 O2
Formal charge:0
Formula weight:430.886 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[4-(5-benzamido-1-methyl-1H-pyrazol-3-yl)phenyl]-2-chlorobenzamide
OpenEye OEToolkits3.1.0.0~{N}-[4-(5-benzamido-1-methyl-pyrazol-3-yl)phenyl]-2-chloranyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cn1nc(cc1NC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI1.06InChI=1S/C24H19ClN4O2/c1-29-22(27-23(30)17-7-3-2-4-8-17)15-21(28-29)16-11-13-18(14-12-16)26-24(31)19-9-5-6-10-20(19)25/h2-15H,1H3,(H,26,31)(H,27,30)
InChIKeyInChI1.06JRXJDHZUEUXAEG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(cc1NC(=O)c2ccccc2)c3ccc(NC(=O)c4ccccc4Cl)cc3
SMILESCACTVS3.385Cn1nc(cc1NC(=O)c2ccccc2)c3ccc(NC(=O)c4ccccc4Cl)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c(cc(n1)c2ccc(cc2)NC(=O)c3ccccc3Cl)NC(=O)c4ccccc4
SMILESOpenEye OEToolkits3.1.0.0Cn1c(cc(n1)c2ccc(cc2)NC(=O)c3ccccc3Cl)NC(=O)c4ccccc4

255900

PDB entries from 2026-07-01

PDB statisticsPDBj update infoContact PDBjnumon