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1-piperazineacetamide, N-(4-chloro-2-methylphenyl)-4-[2-[[[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl]amino]ethyl]-

View entire compound with spectra: 2 NMR

1-piperazineacetamide, N-(4-chloro-2-methylphenyl)-4-[2-[[[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl]amino]ethyl]-
SpectraBase Compound ID GMI8xoRFcsh
InChI InChI=1S/C29H35ClN4O3/c1-20-3-5-22(6-4-20)23-16-27(35)25(28(36)17-23)18-31-9-10-33-11-13-34(14-12-33)19-29(37)32-26-8-7-24(30)15-21(26)2/h3-8,15,18,23,31H,9-14,16-17,19H2,1-2H3,(H,32,37)/b25-18-
InChIKey RKPUYMLEOAKYDO-BWAHOGKJSA-N
Mol Weight 523.1 g/mol
Molecular Formula C29H35ClN4O3
Exact Mass 522.239769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A52kWADR1mU
Name 1-Piperazineacetamide, N-(4-chloro-2-methylphenyl)-4-[2-[[[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl]amino]ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.239768700 u
Formula C29H35ClN4O3
InChI InChI=1S/C29H35ClN4O3/c1-20-3-5-22(6-4-20)23-16-27(35)25(28(36)17-23)18-31-9-10-33-11-13-34(14-12-33)19-29(37)32-26-8-7-24(30)15-21(26)2/h3-8,15,18,23,31H,9-14,16-17,19H2,1-2H3,(H,32,37)/b25-18-
InChIKey RKPUYMLEOAKYDO-BWAHOGKJSA-N
Molecular Weight 523.077 g/mol
SMILES N(C=C1C(CC(CC1=O)C1=CC=C(C=C1)C)=O)CCN1CCN(CC(NC2=C(C=C(C=C2)Cl)C)=O)CC1