CHEBI:107336 - 4-[(4-ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(4-ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
ChEBI ID CHEBI:107336
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H22N4O4
Net Charge 0
Average Mass 358.392
Monoisotopic Mass 358.16411
InChI InChI=1S/C18H22N4O4/c1-5-26-12-7-6-11(8-13(12)25-4)16(14-9(2)19-21-17(14)23)15-10(3)20-22-18(15)24/h6-8,16H,5H2,1-4H3,(H2,19,21,23)(H2,20,22,24)
InChIKey MFRHFEWSEQENDR-UHFFFAOYSA-N
SMILES CCOC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC
ChEBI Ontology
Outgoing 4-[(4-ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (CHEBI:107336) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-18690 LINCS
View more database links