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CHEBI:181318 - 2-Cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one

ChEBI IDCHEBI:181318
ChEBI Name2-Cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38N6O4
Net Charge0
Average Mass546.672
Monoisotopic Mass546.29545
SMILESCOc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCCCCOc1ccc(-c2nnnn2)cc1
InChIInChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
InChIKeyJPXAIORZGBCHIB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one (CHEBI:181318) is a tetrazoles (CHEBI:35689)
IUPAC Name 
2-cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one
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