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4-quinolinecarboxamide, 2-(4-chlorophenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-
SpectraBase Compound ID 2e9nLyNSPC8
InChI InChI=1S/C21H17ClN4O/c22-15-7-5-14(6-8-15)20-11-18(17-3-1-2-4-19(17)26-20)21(27)24-10-9-16-12-23-13-25-16/h1-8,11-13H,9-10H2,(H,23,25)(H,24,27)
InChIKey AYMFOAUQTLQSSG-UHFFFAOYSA-N
Mol Weight 376.85 g/mol
Molecular Formula C21H17ClN4O
Exact Mass 376.109089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpnoMvZGdoU
Name 4-Quinolinecarboxamide, 2-(4-chlorophenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.109088882 u
Formula C21H17ClN4O
InChI InChI=1S/C21H17ClN4O/c22-15-7-5-14(6-8-15)20-11-18(17-3-1-2-4-19(17)26-20)21(27)24-10-9-16-12-23-13-25-16/h1-8,11-13H,9-10H2,(H,23,25)(H,24,27)
InChIKey AYMFOAUQTLQSSG-UHFFFAOYSA-N
Molecular Weight 376.847 g/mol
SMILES N(C(C=1C=C(C=2C=CC(=CC2)Cl)N=C2C1C=CC=C2)=O)CCC1=CNC=N1