CHEBI:120843 - [3-(2-chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [3-(2-chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
ChEBI ID CHEBI:120843
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H20ClN3O2S
Net Charge 0
Average Mass 461.965
Monoisotopic Mass 461.09648
InChI InChI=1S/C25H20ClN3O2S/c1-2-31-18-10-11-20-17(13-18)14-19(24(26)27-20)22-15-21(16-7-4-3-5-8-16)28-29(22)25(30)23-9-6-12-32-23/h3-14,22H,2,15H2,1H3
InChIKey ISDHNTLTLPEJQF-UHFFFAOYSA-N
SMILES CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)C4=CC=CS4)C5=CC=CC=C5
ChEBI Ontology
Outgoing [3-(2-chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CHEBI:120843) is a organochlorine compound (CHEBI:36683)
[3-(2-chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CHEBI:120843) is a quinolines (CHEBI:26513)
Manual Xref Database
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