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CHEBI:49694 - 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one

Default Structure
ChEBI IDCHEBI:49694
ChEBI Name4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one
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DownloadsMolfile
FormulaC21H21FN4O2
Net Charge0
Average Mass380.423
Monoisotopic Mass380.16485
SMILES[H]c1c([H])c(C([H])([H])c2nn([H])c(=O)c3c([H])c([H])c([H])c([H])c23)c([H])c(C(=O)N2C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C2([H])[H])c1F
InChIInChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
InChIKeyHGEPGGJUGUMFHT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one (CHEBI:49694) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-onePDBeChem
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KU8PDBeChem