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2-[4-[4-[META-(2-METHYLPROPANAMIDO)-PHENYL]-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE
SpectraBase Compound ID GuMWy580iSA
InChI InChI=1S/C24H35N5O3/c1-18(2)22(30)25-19-7-5-8-20(17-19)27-15-13-26(14-16-27)10-3-4-11-29-23(31)21-9-6-12-28(21)24(29)32/h5,7-8,17-18,21H,3-4,6,9-16H2,1-2H3,(H,25,30)
InChIKey ISTWNACBFZHHBA-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C24H35N5O3
Exact Mass 441.27399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XY1JYf1QKV
Name 2-[4-[4-[META-(2-METHYLPROPANAMIDO)-PHENYL]-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H35N5O3
InChI InChI=1S/C24H35N5O3/c1-18(2)22(30)25-19-7-5-8-20(17-19)27-15-13-26(14-16-27)10-3-4-11-29-23(31)21-9-6-12-28(21)24(29)32/h5,7-8,17-18,21H,3-4,6,9-16H2,1-2H3,(H,25,30)
InChIKey ISTWNACBFZHHBA-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 441.574 g/mol
Sample ID 43849
Solvent CDCl3