CHEBI:115672 - 2-(3,4-dimethylphenyl)-4-(3-indolylidenemethyl)-5-methyl-1H-pyrazol-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(3,4-dimethylphenyl)-4-(3-indolylidenemethyl)-5-methyl-1H-pyrazol-3-one
ChEBI ID CHEBI:115672
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H19N3O
Net Charge 0
Average Mass 329.396
Monoisotopic Mass 329.15281
InChI InChI=1S/C21H19N3O/c1-13-8-9-17(10-14(13)2)24-21(25)19(15(3)23-24)11-16-12-22-20-7-5-4-6-18(16)20/h4-12,23H,1-3H3
InChIKey NWCTYYOKJWDRQY-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=NC4=CC=CC=C43)C
ChEBI Ontology
Outgoing 2-(3,4-dimethylphenyl)-4-(3-indolylidenemethyl)-5-methyl-1H-pyrazol-3-one (CHEBI:115672) is a pyrazoles (CHEBI:26410)
2-(3,4-dimethylphenyl)-4-(3-indolylidenemethyl)-5-methyl-1H-pyrazol-3-one (CHEBI:115672) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-27129 LINCS
View more database links