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3H-pyrazol-3-one, 2,4-dihydro-4-[1-[[2-(1H-imidazol-4-yl)ethyl]amino]ethylidene]-5-methyl-2-phenyl-, (4Z)-

View entire compound with spectra: 2 NMR

3H-pyrazol-3-one, 2,4-dihydro-4-[1-[[2-(1H-imidazol-4-yl)ethyl]amino]ethylidene]-5-methyl-2-phenyl-, (4Z)-
SpectraBase Compound ID J2s4EpOrIzv
InChI InChI=1S/C17H19N5O/c1-12(19-9-8-14-10-18-11-20-14)16-13(2)21-22(17(16)23)15-6-4-3-5-7-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20)/b16-12-
InChIKey FOPTVWPUQDBLMV-VBKFSLOCSA-N
Mol Weight 309.37 g/mol
Molecular Formula C17H19N5O
Exact Mass 309.15896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4sycKM7LHl
Name 3H-Pyrazol-3-one, 2,4-dihydro-4-[1-[[2-(1H-imidazol-4-yl)ethyl]amino]ethylidene]-5-methyl-2-phenyl-, (4Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.158960251 u
Formula C17H19N5O
InChI InChI=1S/C17H19N5O/c1-12(19-9-8-14-10-18-11-20-14)16-13(2)21-22(17(16)23)15-6-4-3-5-7-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20)/b16-12-
InChIKey FOPTVWPUQDBLMV-VBKFSLOCSA-N
SMILES N(\C(=C/1C(N(N=C1C)C=1C=CC=CC1)=O)C)CCC1=CNC=N1