Chemical Components in the PDB

pdbe.org/chem
spacer

P1Z : Summary

Code

P1Z

One-letter code

X

Molecule name

4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
OpenEye OEToolkits 1.5.0 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione

Formula

C19 H20 N2 O2

Formal charge

0

Molecular weight

308.374 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3
SMILES CACTVS 3.341 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
SMILES OpenEye OEToolkits 1.5.0 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
Canonical SMILES CACTVS 3.341 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

IUPAC InChI

InChI=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

IUPAC InChI key

VYMDGNCVAMGZFE-UHFFFAOYSA-N
P1Z

wwPDB Information

Atom count

43 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-07-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned