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methyl 3-({[4-(3-chlorophenyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate

View entire compound with spectra: 2 NMR

methyl 3-({[4-(3-chlorophenyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
SpectraBase Compound ID 57MXfBPstKW
InChI InChI=1S/C22H23ClN4O3/c1-30-22(29)21-20(17-7-2-3-8-18(17)24-21)25-19(28)14-26-9-11-27(12-10-26)16-6-4-5-15(23)13-16/h2-8,13,24H,9-12,14H2,1H3,(H,25,28)
InChIKey YJLAGRNZXPNFEG-UHFFFAOYSA-N
Mol Weight 426.9 g/mol
Molecular Formula C22H23ClN4O3
Exact Mass 426.145868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cfrBG6uoCR
Name Methyl 3-({[4-(3-chlorophenyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.145868314 u
Formula C22H23ClN4O3
InChI InChI=1S/C22H23ClN4O3/c1-30-22(29)21-20(17-7-2-3-8-18(17)24-21)25-19(28)14-26-9-11-27(12-10-26)16-6-4-5-15(23)13-16/h2-8,13,24H,9-12,14H2,1H3,(H,25,28)
InChIKey YJLAGRNZXPNFEG-UHFFFAOYSA-N
Molecular Weight 426.904 g/mol
SMILES N1C=2C=CC=CC2C(=C1C(=O)OC)NC(CN1CCN(CC1)C=1C=C(Cl)C=CC1)=O