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

P1Z

Summary
Name:4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
Formula:C19 H20 N2 O2
Formal charge:0
Formula weight:308.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-butyl-1,2-diphenylpyrazolidine-3,5-dione
OpenEye OEToolkits1.5.04-butyl-1,2-diphenyl-pyrazolidine-3,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3
SMILES_CANONICALCACTVS3.341CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
SMILESCACTVS3.341CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
SMILESOpenEye OEToolkits1.5.0CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
InChIInChI1.03InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKeyInChI1.03VYMDGNCVAMGZFE-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon