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2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-benzo[de]isoquinoline-1,3-dione

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2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID JkXyAfIoVsF
InChI InChI=1S/C25H25N3O2/c29-24-21-11-4-7-19-8-5-12-22(23(19)21)25(30)28(24)14-6-13-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-5,7-12H,6,13-18H2
InChIKey ZHFWJNDWTUOXAY-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C25H25N3O2
Exact Mass 399.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fkkgq2azOFN
Name 2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-benzo[de]isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.194677055 u
Formula C25H25N3O2
InChI InChI=1S/C25H25N3O2/c29-24-21-11-4-7-19-8-5-12-22(23(19)21)25(30)28(24)14-6-13-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-5,7-12H,6,13-18H2
InChIKey ZHFWJNDWTUOXAY-UHFFFAOYSA-N
Molecular Weight 399.494 g/mol
SMILES C(N1CCN(CC1)C1=CC=CC=C1)CCN1C(C2=CC=CC3=C2C(=CC=C3)C1=O)=O