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4-[(4-Benzyl-1-piperazinyl)carbonyl]-8-methyl-2-phenylquinoline

View entire compound with spectra: 2 NMR

4-[(4-Benzyl-1-piperazinyl)carbonyl]-8-methyl-2-phenylquinoline
SpectraBase Compound ID DkqJY7r1ceI
InChI InChI=1S/C28H27N3O/c1-21-9-8-14-24-25(19-26(29-27(21)24)23-12-6-3-7-13-23)28(32)31-17-15-30(16-18-31)20-22-10-4-2-5-11-22/h2-14,19H,15-18,20H2,1H3
InChIKey KYIQTFKLXKGCBI-UHFFFAOYSA-N
Mol Weight 421.54 g/mol
Molecular Formula C28H27N3O
Exact Mass 421.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVHfWZBY0yv
Name 4-[(4-Benzyl-1-piperazinyl)carbonyl]-8-methyl-2-phenylquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.215412500 u
Formula C28H27N3O
InChI InChI=1S/C28H27N3O/c1-21-9-8-14-24-25(19-26(29-27(21)24)23-12-6-3-7-13-23)28(32)31-17-15-30(16-18-31)20-22-10-4-2-5-11-22/h2-14,19H,15-18,20H2,1H3
InChIKey KYIQTFKLXKGCBI-UHFFFAOYSA-N
Molecular Weight 421.544 g/mol
SMILES C1(C(N2CCN(CC2)CC2=CC=CC=C2)=O)=C2C(C(C)=CC=C2)=NC(=C1)C=1C=CC=CC1