CHEBI:107401 - 3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-propenamide

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ChEBI Name 3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-propenamide
ChEBI ID CHEBI:107401
Stars This entity has been manually annotated by a third party.
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Formula C23H23BrClN3O3
Net Charge 0
Average Mass 504.804
Monoisotopic Mass 503.06113
InChI InChI=1S/C23H23BrClN3O3/c1-15-18(13-28(2)27-15)12-26-23(29)9-5-16-4-7-21(30-3)17(10-16)14-31-22-8-6-19(25)11-20(22)24/h4-11,13H,12,14H2,1-3H3,(H,26,29)
InChIKey GSKFOCKLAVDXHB-UHFFFAOYSA-N
SMILES CC1=NN(C=C1CNC(=O)C=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)Br)C
ChEBI Ontology
Outgoing 3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-propenamide (CHEBI:107401) is a cinnamamides (CHEBI:23247)
3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-propenamide (CHEBI:107401) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-18755 LINCS
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Last Modified
07 March 2018