CHEBI:107308 - 1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester
ChEBI ID CHEBI:107308
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H17BrN2O3
Net Charge 0
Average Mass 449.297
Monoisotopic Mass 448.04226
InChI InChI=1S/C23H17BrN2O3/c1-2-29-23(28)21-20(14-26(25-21)17-12-10-16(24)11-13-17)22(27)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,2H2,1H3
InChIKey ZGEFYVLRNRIVJL-UHFFFAOYSA-N
SMILES CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Br
ChEBI Ontology
Outgoing 1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester (CHEBI:107308) is a carbonyl compound (CHEBI:36586)
1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester (CHEBI:107308) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-18662 LINCS
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