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

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ChEBI Name 2-Cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one
ChEBI ID CHEBI:181318
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H38N6O4
Net Charge 0
Average Mass 546.672
Monoisotopic Mass 546.29545
InChI InChI=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)
InChIKey JPXAIORZGBCHIB-UHFFFAOYSA-N
SMILES O=C1N(N=C(C1(C)C)C2=CC(OCCCCOC3=CC=C(C=C3)C4=NNN=N4)=C(OC)C=C2)C5CCCCCC5
ChEBI Ontology
Outgoing 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
Manual Xref Database
28644122 ChemSpider
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