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4-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}-3-methyl-2-phenylquinoline

View entire compound with spectra: 2 NMR

4-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}-3-methyl-2-phenylquinoline
SpectraBase Compound ID CIMdbYq71qa
InChI InChI=1S/C27H24FN3O/c1-19-25(23-9-5-6-10-24(23)29-26(19)20-7-3-2-4-8-20)27(32)31-17-15-30(16-18-31)22-13-11-21(28)12-14-22/h2-14H,15-18H2,1H3
InChIKey IFSDCXHLQZLLAX-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C27H24FN3O
Exact Mass 425.190341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzFTXQdLSai
Name 4-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}-3-methyl-2-phenylquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.190340567 u
Formula C27H24FN3O
InChI InChI=1S/C27H24FN3O/c1-19-25(23-9-5-6-10-24(23)29-26(19)20-7-3-2-4-8-20)27(32)31-17-15-30(16-18-31)22-13-11-21(28)12-14-22/h2-14H,15-18H2,1H3
InChIKey IFSDCXHLQZLLAX-UHFFFAOYSA-N
Molecular Weight 425.507 g/mol
SMILES C=1(C(N2CCN(CC2)C2=CC=C(C=C2)F)=O)C(=C(C2=CC=CC=C2)N=C2C1C=CC=C2)C