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2-[4-[4-(ORTHO-(PROPYLCARBAMOYL)-PHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRROLO-[1,2-A]-PYRAZINE
SpectraBase Compound ID Ieki0am9U0f
InChI InChI=1S/C25H37N5O3/c1-2-11-26-24(32)20-8-3-4-9-21(20)28-17-15-27(16-18-28)12-5-6-13-29-19-23(31)30-14-7-10-22(30)25(29)33/h3-4,8-9,22H,2,5-7,10-19H2,1H3,(H,26,32)
InChIKey FCJKFSYFNPRAFL-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C25H37N5O3
Exact Mass 455.28964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFAFfMUVR3T
Name 2-[4-[4-(ORTHO-(PROPYLCARBAMOYL)-PHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRROLO-[1,2-A]-PYRAZINE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H37N5O3
InChI InChI=1S/C25H37N5O3/c1-2-11-26-24(32)20-8-3-4-9-21(20)28-17-15-27(16-18-28)12-5-6-13-29-19-23(31)30-14-7-10-22(30)25(29)33/h3-4,8-9,22H,2,5-7,10-19H2,1H3,(H,26,32)
InChIKey FCJKFSYFNPRAFL-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 455.600 g/mol
Sample ID 43835
Solvent CDCl3