CHEBI:107306 - N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide
ChEBI ID CHEBI:107306
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H17N3O4
Net Charge 0
Average Mass 363.367
Monoisotopic Mass 363.12191
InChI InChI=1S/C20H17N3O4/c1-12-8-17(23(22-12)14-6-4-3-5-7-14)20(25)21-16-10-19-18(26-11-27-19)9-15(16)13(2)24/h3-10H,11H2,1-2H3,(H,21,25)
InChIKey XXYVOHVTBJHXFJ-UHFFFAOYSA-N
SMILES CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C4=CC=CC=C4
ChEBI Ontology
Outgoing N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide (CHEBI:107306) is a pyrazoles (CHEBI:26410)
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide (CHEBI:107306) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-18660 LINCS
View more database links