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2-[4-[4-(ORTHO-CYANOPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRIDO-[1,2-A]-PYRAZINE
SpectraBase Compound ID HGabmbCq9aO
InChI InChI=1S/C23H31N5O2/c24-17-19-7-1-2-8-20(19)26-15-13-25(14-16-26)10-5-6-11-27-18-22(29)28-12-4-3-9-21(28)23(27)30/h1-2,7-8,21H,3-6,9-16,18H2
InChIKey QOCZOARDHLPYDZ-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C23H31N5O2
Exact Mass 409.247775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8qt1Rhr5v3
Name 2-[4-[4-(ORTHO-CYANOPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRIDO-[1,2-A]-PYRAZINE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31N5O2
InChI InChI=1S/C23H31N5O2/c24-17-19-7-1-2-8-20(19)26-15-13-25(14-16-26)10-5-6-11-27-18-22(29)28-12-4-3-9-21(28)23(27)30/h1-2,7-8,21H,3-6,9-16,18H2
InChIKey QOCZOARDHLPYDZ-UHFFFAOYSA-N
Literature Reference Author M.L.LOPEZ-RODRIGUEZ,M.J.MORCILLO,E.FERNANDEZ,E.PORRAS,L.OREN SANZ,M.E.BENEYTEZ,J.
Literature Reference Citation J.MED.CHEM.,44,186(2001)
Literature Reference DOI 10.1021/jm000929u
Molecular Weight 409.531 g/mol
Sample ID 43839
Solvent CDCl3