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1-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
SpectraBase Compound ID 1lohXYNZKjH
InChI InChI=1S/C18H21N5O5/c1-13(22-11-15(9-19-22)23(25)26)18(24)21-6-4-20(5-7-21)10-14-2-3-16-17(8-14)28-12-27-16/h2-3,8-9,11,13H,4-7,10,12H2,1H3
InChIKey DTIHCFXULUEVIL-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C18H21N5O5
Exact Mass 387.154269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnqU4d6U2B0
Name 1-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N5O5
InChI InChI=1S/C18H21N5O5/c1-13(22-11-15(9-19-22)23(25)26)18(24)21-6-4-20(5-7-21)10-14-2-3-16-17(8-14)28-12-27-16/h2-3,8-9,11,13H,4-7,10,12H2,1H3
InChIKey DTIHCFXULUEVIL-UHFFFAOYSA-N
Molecular Weight 387.396 g/mol
SMILES c1(N(=O)=O)c[n](C(C(=O)N2CCN(CC2)Cc2cc3OCOc3cc2)C)nc1
SPLASH splash10-000i-5901000000-f369e1a2b541608704dd
Source of Spectrum IY-2-5013-6
Synonyms Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]- 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-propanone 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one
Wiley ID 1658119