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6-Bromo-2-(4-ethoxyphenyl)-4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}quinoline

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6-Bromo-2-(4-ethoxyphenyl)-4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID 73HMV8rAAO1
InChI InChI=1S/C29H28BrN3O3/c1-3-36-22-11-8-20(9-12-22)26-19-24(23-18-21(30)10-13-25(23)31-26)29(34)33-16-14-32(15-17-33)27-6-4-5-7-28(27)35-2/h4-13,18-19H,3,14-17H2,1-2H3
InChIKey LBRATNXLMIJBFY-UHFFFAOYSA-N
Mol Weight 546.47 g/mol
Molecular Formula C29H28BrN3O3
Exact Mass 545.131405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IxZXsTl1E
Name 6-Bromo-2-(4-ethoxyphenyl)-4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}quinoline
Comments Computed using HOSE algorithm
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Exact Mass 545.131404771 u
Formula C29H28BrN3O3
InChI InChI=1S/C29H28BrN3O3/c1-3-36-22-11-8-20(9-12-22)26-19-24(23-18-21(30)10-13-25(23)31-26)29(34)33-16-14-32(15-17-33)27-6-4-5-7-28(27)35-2/h4-13,18-19H,3,14-17H2,1-2H3
InChIKey LBRATNXLMIJBFY-UHFFFAOYSA-N
Molecular Weight 546.465 g/mol
SMILES CCOC=1C=CC(C2=NC=3C(C(=C2)C(=O)N2CCN(C=4C(OC)=CC=CC4)CC2)=CC(=CC3)Br)=CC1