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3,4-Dihydro-N-[3-(4-(3-trifluoromethylphenyl)piperazin-1-yl)propyl]isoquinolin-1(2H)-one
SpectraBase Compound ID A74TyrYp9tj
InChI InChI=1S/C23H26F3N3O/c24-23(25,26)19-6-3-7-20(17-19)28-15-13-27(14-16-28)10-4-11-29-12-9-18-5-1-2-8-21(18)22(29)30/h1-3,5-8,17H,4,9-16H2
InChIKey LHDDOZPHQWBNGP-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C23H26F3N3O
Exact Mass 417.202797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zKX3SwP6LD
Name 3,4-Dihydro-N-[3-(4-(3-trifluoromethylphenyl)piperazin-1-yl)propyl]isoquinolin-1(2H)-one
Alternate Name(s) 2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)-3,4-dihydroisoquinolin-1(2H)-one 2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]-3,4-dihydroisoquinolin-1-one 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroisoquinolin-1-one
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Formula C23H26F3N3O
InChI InChI=1S/C23H26F3N3O/c24-23(25,26)19-6-3-7-20(17-19)28-15-13-27(14-16-28)10-4-11-29-12-9-18-5-1-2-8-21(18)22(29)30/h1-3,5-8,17H,4,9-16H2
InChIKey LHDDOZPHQWBNGP-UHFFFAOYSA-N
Molecular Weight 417.476 g/mol
SMILES C1(N(CCc2ccccc12)CCCN1CCN(CC1)c1cc(ccc1)C(F)(F)F)=O
SPLASH splash10-014r-0950000000-74171cef21ef7e2e6387
Source of Spectrum CMC-5-1311-5e
Wiley ID 1771720