cyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanone (CHEBI:183445)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	cyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanone

ChEBI ID	CHEBI:183445

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H26N4O3

Net Charge

Average Mass

382.464

Monoisotopic Mass

382.20049

InChI

InChI=1S/C21H26N4O3/c26-21(17-6-2-1-3-7-17)24-14-12-23(13-15-24)19-9-8-18(25(27)28)16-20(19)22-10-4-5-11-22/h4-5,8-11,16-17H,1-3,6-7,12-15H2

InChIKey

UHYMYHGMLSZFSU-UHFFFAOYSA-N

SMILES

O=C(N1CCN(CC1)C2=C(N3C=CC=C3)C=C([N+]([O-])=O)C=C2)C4CCCCC4

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study

ChEBI Ontology
Outgoing	cyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanone (CHEBI:183445) is a piperazines (CHEBI:26144)

IUPAC Name

cyclohexyl-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone