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

View entire compound with spectra: 2 NMR

methyl 3-({[4-(4-fluorophenyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
SpectraBase Compound ID ATNPl2fRN9X
InChI InChI=1S/C22H23FN4O3/c1-30-22(29)21-20(17-4-2-3-5-18(17)24-21)25-19(28)14-26-10-12-27(13-11-26)16-8-6-15(23)7-9-16/h2-9,24H,10-14H2,1H3,(H,25,28)
InChIKey OTMZYZPQLGTGPY-UHFFFAOYSA-N
Mol Weight 410.45 g/mol
Molecular Formula C22H23FN4O3
Exact Mass 410.175419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9dHYpMfb7T
Name Methyl 3-({[4-(4-fluorophenyl)-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 410.175418777 u
Formula C22H23FN4O3
InChI InChI=1S/C22H23FN4O3/c1-30-22(29)21-20(17-4-2-3-5-18(17)24-21)25-19(28)14-26-10-12-27(13-11-26)16-8-6-15(23)7-9-16/h2-9,24H,10-14H2,1H3,(H,25,28)
InChIKey OTMZYZPQLGTGPY-UHFFFAOYSA-N
Molecular Weight 410.449 g/mol
SMILES N1C=2C=CC=CC2C(=C1C(=O)OC)NC(CN1CCN(CC1)C=1C=CC(=CC1)F)=O