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2-Pyrrol3-[4-(2-chloro-phenyl)-piperazin-1-yl]-propylmorpho-benzo[de]isoquinoline-1,3-dione

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2-Pyrrol3-[4-(2-chloro-phenyl)-piperazin-1-yl]-propylmorpho-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID 4z28D76gaf7
InChI InChI=1S/C25H24ClN3O2/c26-21-10-1-2-11-22(21)28-16-14-27(15-17-28)12-5-13-29-24(30)19-8-3-6-18-7-4-9-20(23(18)19)25(29)31/h1-4,6-11H,5,12-17H2
InChIKey PEHOABMBPKPZPH-UHFFFAOYSA-N
Mol Weight 433.94 g/mol
Molecular Formula C25H24ClN3O2
Exact Mass 433.155705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIE1jSrs2mb
Name 2-Pyrrol3-[4-(2-chloro-phenyl)-piperazin-1-yl]-propylmorpho-benzo[de]isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.155704723 u
Formula C25H24ClN3O2
InChI InChI=1S/C25H24ClN3O2/c26-21-10-1-2-11-22(21)28-16-14-27(15-17-28)12-5-13-29-24(30)19-8-3-6-18-7-4-9-20(23(18)19)25(29)31/h1-4,6-11H,5,12-17H2
InChIKey PEHOABMBPKPZPH-UHFFFAOYSA-N
Molecular Weight 433.939 g/mol
SMILES C(N1CCN(CC1)C1=C(C=CC=C1)Cl)CCN1C(C2=C3C(C=CC=C3C1=O)=CC=C2)=O