CHEBI:105558 - 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
ChEBI ID CHEBI:105558
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H29FN4O2
Net Charge 0
Average Mass 436.523
Monoisotopic Mass 436.22745
InChI InChI=1S/C25H29FN4O2/c1-3-30-17-20(18(2)28-30)16-29-14-12-19(13-15-29)25(31)27-21-8-10-22(11-9-21)32-24-7-5-4-6-23(24)26/h4-11,17,19H,3,12-16H2,1-2H3,(H,27,31)
InChIKey KDXXZHBZHFASCN-UHFFFAOYSA-N
SMILES CCN1C=C(C(=N1)C)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F
ChEBI Ontology
Outgoing 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide (CHEBI:105558) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-16921 LINCS
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