|
P1Z : Summary
Code
|
P1Z
|
One-letter code
|
X
|
Molecule name
|
4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
|
Systematic names
|
|
Formula
|
C19 H20 N2 O2
|
Formal charge
|
0
|
Molecular weight
|
308.374 Da
|
SMILES
|
Type | Program | Version | Descriptor |
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 |
|
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
|
|