CHEBI:104926 - 5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile

ChEBI IDCHEBI:104926
ChEBI Name5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile
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FormulaC18H21N3O3
Net Charge0
Average Mass327.384
Monoisotopic Mass327.15829
SMILESCOc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1OC
InChIInChI=1S/C18H21N3O3/c1-22-15-8-7-13(11-16(15)23-2)17-20-14(12-19)18(24-17)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZKMSQFNCYCQUPB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile (CHEBI:104926) is a 1,3-oxazoles (CHEBI:46812)
Manual XrefsDatabases
LSM-16289LINCS