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3H-pyrazol-3-one, 2,4-dihydro-4-[1-[[2-(1H-indol-3-yl)ethyl]amino]ethylidene]-5-methyl-2-phenyl-, (4Z)-
SpectraBase Compound ID 8BmJr4bNanC
InChI InChI=1S/C22H22N4O/c1-15(23-13-12-17-14-24-20-11-7-6-10-19(17)20)21-16(2)25-26(22(21)27)18-8-4-3-5-9-18/h3-11,14,23-24H,12-13H2,1-2H3/b21-15-
InChIKey YWLWZLPHGQYVCT-QNGOZBTKSA-N
Mol Weight 358.45 g/mol
Molecular Formula C22H22N4O
Exact Mass 358.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgZpTphlx0C
Name 3H-Pyrazol-3-one, 2,4-dihydro-4-[1-[[2-(1H-indol-3-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 358.179361343 u
Formula C22H22N4O
InChI InChI=1S/C22H22N4O/c1-15(23-13-12-17-14-24-20-11-7-6-10-19(17)20)21-16(2)25-26(22(21)27)18-8-4-3-5-9-18/h3-11,14,23-24H,12-13H2,1-2H3/b21-15-
InChIKey YWLWZLPHGQYVCT-QNGOZBTKSA-N
Molecular Weight 358.445 g/mol
SMILES N(\C(=C/1C(N(N=C1C)C=1C=CC=CC1)=O)C)CCC1=CNC2=C1C=CC=C2