CHEBI:189649 - AC-55541

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name AC-55541
ChEBI ID CHEBI:189649
Stars This entity has been manually annotated by a third party.
Submitter Jinyang Du
Supplier Information
Download Molfile XML SDF
Formula C25H20BrN5O3
Net Charge 0
Average Mass 518.371
Monoisotopic Mass 517.07495
InChI InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
InChIKey UCUHFWIFSHROPY-RWPZCVJISA-N
SMILES C\C(=N/NC(=O)C(NC(=O)C1=CC=CC=C1)C1=NNC(=O)C2=CC=CC=C12)C1=CC=CC(Br)=C1
ChEBI Ontology
Outgoing AC-55541 (CHEBI:189649) is a organic molecular entity (CHEBI:50860)
IUPAC Name
N-[2-{(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl}-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl]benzamide
Synonyms Sources
AC 55541 ChEBI
AC55541 ChEBI
Manual Xref Database
9589606 ChemIDplus accession
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Last Modified
09 February 2022