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

View entire compound with spectra: 2 NMR

4-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]carbonyl}-2-(4-isopropylphenyl)quinoline
SpectraBase Compound ID H4KG2LBjOTB
InChI InChI=1S/C31H33N3O/c1-21(2)24-12-14-25(15-13-24)29-20-27(26-9-5-6-10-28(26)32-29)31(35)34-18-16-33(17-19-34)30-11-7-8-22(3)23(30)4/h5-15,20-21H,16-19H2,1-4H3
InChIKey QVQVUBCELVFHCO-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C31H33N3O
Exact Mass 463.262363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4pUz0Gtt8N
Name 4-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]carbonyl}-2-(4-isopropylphenyl)quinoline
Comments Computed using HOSE algorithm
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Exact Mass 463.262362694 u
Formula C31H33N3O
InChI InChI=1S/C31H33N3O/c1-21(2)24-12-14-25(15-13-24)29-20-27(26-9-5-6-10-28(26)32-29)31(35)34-18-16-33(17-19-34)30-11-7-8-22(3)23(30)4/h5-15,20-21H,16-19H2,1-4H3
InChIKey QVQVUBCELVFHCO-UHFFFAOYSA-N
Molecular Weight 463.625 g/mol
SMILES C1=CC=C2C(=CC(C=3C=CC(=CC3)C(C)C)=NC2=C1)C(=O)N1CCN(C=2C(=C(C)C=CC2)C)CC1