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2-(3,4-Dimethylphenyl)-4-{[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl}quinoline

View entire compound with spectra: 2 NMR

2-(3,4-Dimethylphenyl)-4-{[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID AIsIWFvpI9r
InChI InChI=1S/C30H31N3O/c1-20-12-13-24(18-22(20)3)28-19-26(25-9-5-6-10-27(25)31-28)30(34)33-16-14-32(15-17-33)29-11-7-8-21(2)23(29)4/h5-13,18-19H,14-17H2,1-4H3
InChIKey LULXIZYSVXRXDT-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C30H31N3O
Exact Mass 449.246713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eHAxpQ80Sj
Name 2-(3,4-Dimethylphenyl)-4-{[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl}quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.246712629 u
Formula C30H31N3O
InChI InChI=1S/C30H31N3O/c1-20-12-13-24(18-22(20)3)28-19-26(25-9-5-6-10-27(25)31-28)30(34)33-16-14-32(15-17-33)29-11-7-8-21(2)23(29)4/h5-13,18-19H,14-17H2,1-4H3
InChIKey LULXIZYSVXRXDT-UHFFFAOYSA-N
Molecular Weight 449.598 g/mol
SMILES C=1(C(N2CCN(CC2)C2=C(C(C)=CC=C2)C)=O)C=C(C2=CC(C)=C(C=C2)C)N=C2C1C=CC=C2