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2-Pyrrol4-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-piperazin-1-ylmorpho-benzonitrile
SpectraBase Compound ID 24uOIXy3OFn
InChI InChI=1S/C23H24N4O2/c24-17-18-7-1-4-10-21(18)26-15-13-25(14-16-26)11-5-6-12-27-22(28)19-8-2-3-9-20(19)23(27)29/h1-4,7-10H,5-6,11-16H2
InChIKey WDONFDDIANNLQG-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C23H24N4O2
Exact Mass 388.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4hJ6cJCM7w
Name 2-Pyrrol4-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-piperazin-1-ylmorpho-benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.189926027 u
Formula C23H24N4O2
InChI InChI=1S/C23H24N4O2/c24-17-18-7-1-4-10-21(18)26-15-13-25(14-16-26)11-5-6-12-27-22(28)19-8-2-3-9-20(19)23(27)29/h1-4,7-10H,5-6,11-16H2
InChIKey WDONFDDIANNLQG-UHFFFAOYSA-N
Molecular Weight 388.471 g/mol
SMILES C(CN1CCN(CC1)C1=CC=CC=C1C#N)CCN1C(C2=C(C1=O)C=CC=C2)=O