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N~1~-(4-bromo-3-methylphenyl)-N~2~-{2-[4-(2-methoxybenzoyl)-1-piperazinyl]ethyl}ethanediamide

View entire compound with spectra: 2 NMR

N~1~-(4-bromo-3-methylphenyl)-N~2~-{2-[4-(2-methoxybenzoyl)-1-piperazinyl]ethyl}ethanediamide
SpectraBase Compound ID KTetSgalkd9
InChI InChI=1S/C23H27BrN4O4/c1-16-15-17(7-8-19(16)24)26-22(30)21(29)25-9-10-27-11-13-28(14-12-27)23(31)18-5-3-4-6-20(18)32-2/h3-8,15H,9-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey KPANIRUPRYSMTI-UHFFFAOYSA-N
Mol Weight 503.4 g/mol
Molecular Formula C23H27BrN4O4
Exact Mass 502.121568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mppZTbOG7X
Name N~1~-(4-Bromo-3-methylphenyl)-N~2~-{2-[4-(2-methoxybenzoyl)-1-piperazinyl]ethyl}ethanediamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.121568361 u
Formula C23H27BrN4O4
InChI InChI=1S/C23H27BrN4O4/c1-16-15-17(7-8-19(16)24)26-22(30)21(29)25-9-10-27-11-13-28(14-12-27)23(31)18-5-3-4-6-20(18)32-2/h3-8,15H,9-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey KPANIRUPRYSMTI-UHFFFAOYSA-N
Molecular Weight 503.397 g/mol
SMILES N(C(C(NC1=CC(C)=C(C=C1)Br)=O)=O)CCN1CCN(C(C=2C(OC)=CC=CC2)=O)CC1