CHEBI:113075 - 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide

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ChEBI Name 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide
ChEBI ID CHEBI:113075
Stars This entity has been manually annotated by a third party.
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Formula C21H29ClFN3O2
Net Charge 0
Average Mass 409.926
Monoisotopic Mass 409.19323
InChI InChI=1S/C21H29ClFN3O2/c22-19-13-17(23)10-9-16(19)14-25-11-6-12-26(21(25)28)15-20(27)24-18-7-4-2-1-3-5-8-18/h9-10,13,18H,1-8,11-12,14-15H2,(H,24,27)
InChIKey YFDIWTRTLQONPY-UHFFFAOYSA-N
SMILES C1CCCC(CCC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl
ChEBI Ontology
Outgoing 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide (CHEBI:113075) has functional parent α-amino acid (CHEBI:33704)
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide (CHEBI:113075) is a organonitrogen compound (CHEBI:35352)
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide (CHEBI:113075) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-24485 LINCS
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