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2-Pyrrol5-[4-(4-chloro-phenyl)-piperazin-1-yl]-pentylmorpho-benzo[de]isoquinoline-1,3-dione

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2-Pyrrol5-[4-(4-chloro-phenyl)-piperazin-1-yl]-pentylmorpho-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID 48vyRQ9BPZN
InChI InChI=1S/C27H28ClN3O2/c28-21-10-12-22(13-11-21)30-18-16-29(17-19-30)14-2-1-3-15-31-26(32)23-8-4-6-20-7-5-9-24(25(20)23)27(31)33/h4-13H,1-3,14-19H2
InChIKey YRGHWGLTFTYYJV-UHFFFAOYSA-N
Mol Weight 461.99 g/mol
Molecular Formula C27H28ClN3O2
Exact Mass 461.187005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UJUpOF5CQq
Name 2-Pyrrol5-[4-(4-chloro-phenyl)-piperazin-1-yl]-pentylmorpho-benzo[de]isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.187004852 u
Formula C27H28ClN3O2
InChI InChI=1S/C27H28ClN3O2/c28-21-10-12-22(13-11-21)30-18-16-29(17-19-30)14-2-1-3-15-31-26(32)23-8-4-6-20-7-5-9-24(25(20)23)27(31)33/h4-13H,1-3,14-19H2
InChIKey YRGHWGLTFTYYJV-UHFFFAOYSA-N
Molecular Weight 461.993 g/mol
SMILES C1N(CCN(C1)C1=CC=C(C=C1)Cl)CCCCCN1C(C2=C3C(C=CC=C3C1=O)=CC=C2)=O