CHEBI:104194 - 1-[4-(2-methoxyphenoxy)but-2-ynyl]azepane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[4-(2-methoxyphenoxy)but-2-ynyl]azepane
ChEBI ID CHEBI:104194
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H23NO2
Net Charge 0
Average Mass 273.371
Monoisotopic Mass 273.17288
InChI InChI=1S/C17H23NO2/c1-19-16-10-4-5-11-17(16)20-15-9-8-14-18-12-6-2-3-7-13-18/h4-5,10-11H,2-3,6-7,12-15H2,1H3
InChIKey YWSBLRVYERODQE-UHFFFAOYSA-N
SMILES COC1=CC=CC=C1OCC#CCN2CCCCCC2
ChEBI Ontology
Outgoing 1-[4-(2-methoxyphenoxy)but-2-ynyl]azepane (CHEBI:104194) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-15558 LINCS
View more database links