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ethanediamide, N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~2~-[2-[[(2-methoxyethyl)amino]carbonyl]phenyl]-

View entire compound with spectra: 2 NMR

ethanediamide, N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~2~-[2-[[(2-methoxyethyl)amino]carbonyl]phenyl]-
SpectraBase Compound ID 5yvcvDZixde
InChI InChI=1S/C22H23ClN4O4/c1-31-11-10-25-20(28)16-4-2-3-5-19(16)27-22(30)21(29)24-9-8-14-13-26-18-7-6-15(23)12-17(14)18/h2-7,12-13,26H,8-11H2,1H3,(H,24,29)(H,25,28)(H,27,30)
InChIKey IWTKAQNFHQMEFA-UHFFFAOYSA-N
Mol Weight 442.9 g/mol
Molecular Formula C22H23ClN4O4
Exact Mass 442.140783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9y9r2RgUSPq
Name Ethanediamide, N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~2~-[2-[[(2-methoxyethyl)amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.140782933 u
Formula C22H23ClN4O4
InChI InChI=1S/C22H23ClN4O4/c1-31-11-10-25-20(28)16-4-2-3-5-19(16)27-22(30)21(29)24-9-8-14-13-26-18-7-6-15(23)12-17(14)18/h2-7,12-13,26H,8-11H2,1H3,(H,24,29)(H,25,28)(H,27,30)
InChIKey IWTKAQNFHQMEFA-UHFFFAOYSA-N
Molecular Weight 442.903 g/mol
SMILES N(C(C(=O)NCCC1=CNC2=C1C=C(C=C2)Cl)=O)C1=C(C(=O)NCCOC)C=CC=C1