Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C21H25N5O2/c1-21(2,3)18-15(22-12-23-18)11-17-20(28)24-16(19(27)25-17)10-13-6-8-14(9-7-13)26(4)5/h6-12H,1-5H3,(H,22,23)(H,24,28)(H,25,27)/b16-10-,17-11-
SMILES CN(c1ccc(cc1)/C=c/1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)/[nH]c1=O)C
InChI Key PIABYVZMMACTIP-APGQMXJTSA-N
Molecular Formula C21H25N5O2
Exact Mass 379.455 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PIABYVZMMACTIP-APGQMXJTSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/PIABYVZMMACTIP-APGQMXJTSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-19
Related Molecule
  • (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[4-(dimethylamino)phenyl]methylidene]piperazine-2,5-dione
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889739 PubChem
    The data in this table is sourced from UniChem at EBI.