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2-[4-[4-(ORTHO-CYANOPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE

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2-[4-[4-(ORTHO-CYANOPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE
SpectraBase Compound ID 4CeNZDDcu1t
InChI InChI=1S/C21H27N5O2/c22-16-17-6-1-2-7-18(17)24-14-12-23(13-15-24)9-3-4-10-26-20(27)19-8-5-11-25(19)21(26)28/h1-2,6-7,19H,3-5,8-15H2
InChIKey LGFUAUAKAMZTHA-UHFFFAOYSA-N
Mol Weight 381.48 g/mol
Molecular Formula C21H27N5O2
Exact Mass 381.216475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdscmZYCqG8
Name 2-[4-[4-(ORTHO-CYANOPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE
Compound Number 1 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N5O2
InChI InChI=1S/C21H27N5O2/c22-16-17-6-1-2-7-18(17)24-14-12-23(13-15-24)9-3-4-10-26-20(27)19-8-5-11-25(19)21(26)28/h1-2,6-7,19H,3-5,8-15H2
InChIKey LGFUAUAKAMZTHA-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 381.478 g/mol
Sample ID 43827
Solvent CDCl3