CHEBI:105823 - 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazine

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ChEBI Name 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazine
ChEBI ID CHEBI:105823
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H23N3O4
Net Charge 0
Average Mass 381.426
Monoisotopic Mass 381.16886
InChI InChI=1S/C21H23N3O4/c25-24(26)19-6-2-1-4-18(19)5-3-9-22-10-12-23(13-11-22)15-17-7-8-20-21(14-17)28-16-27-20/h1-8,14H,9-13,15-16H2
InChIKey VQLQAWVTLLYPRG-UHFFFAOYSA-N
SMILES C1CN(CCN1CC=CC2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazine (CHEBI:105823) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-17184 LINCS
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