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2-(4-Chlorophenyl)-3-methyl-4-[(4-phenyl-1-piperazinyl)carbonyl]quinoline

View entire compound with spectra: 2 NMR

2-(4-Chlorophenyl)-3-methyl-4-[(4-phenyl-1-piperazinyl)carbonyl]quinoline
SpectraBase Compound ID 2CvAmE7rVnK
InChI InChI=1S/C27H24ClN3O/c1-19-25(27(32)31-17-15-30(16-18-31)22-7-3-2-4-8-22)23-9-5-6-10-24(23)29-26(19)20-11-13-21(28)14-12-20/h2-14H,15-18H2,1H3
InChIKey OSFMFXCFKGHJBP-UHFFFAOYSA-N
Mol Weight 441.96 g/mol
Molecular Formula C27H24ClN3O
Exact Mass 441.16079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSbIaYddTiy
Name 2-(4-Chlorophenyl)-3-methyl-4-[(4-phenyl-1-piperazinyl)carbonyl]quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.160790104 u
Formula C27H24ClN3O
InChI InChI=1S/C27H24ClN3O/c1-19-25(27(32)31-17-15-30(16-18-31)22-7-3-2-4-8-22)23-9-5-6-10-24(23)29-26(19)20-11-13-21(28)14-12-20/h2-14H,15-18H2,1H3
InChIKey OSFMFXCFKGHJBP-UHFFFAOYSA-N
Molecular Weight 441.962 g/mol
SMILES C=1(C(N2CCN(CC2)C=2C=CC=CC2)=O)C(=C(C2=CC=C(C=C2)Cl)N=C2C1C=CC=C2)C