CHEBI:122124 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yl-4-triazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yl-4-triazolecarboxamide
ChEBI ID CHEBI:122124
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H21FN8O3
Net Charge 0
Average Mass 464.453
Monoisotopic Mass 464.17206
InChI InChI=1S/C22H21FN8O3/c1-13(2)19-18(26-30-31(19)21-20(24)28-34-29-21)22(32)27-25-11-14-5-9-17(10-6-14)33-12-15-3-7-16(23)8-4-15/h3-11,13H,12H2,1-2H3,(H2,24,28)(H,27,32)
InChIKey HLJABFBJQPUYLJ-UHFFFAOYSA-N
SMILES CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)F
ChEBI Ontology
Outgoing 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yl-4-triazolecarboxamide (CHEBI:122124) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-33567 LINCS
View more database links