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Isoquinoline, 2-[2-fluoro-5-[4-(3-fluorobenzoyl)-1-piperazinyl]-4-nitrophenyl]-1,2,3,4-tetrahydro-
SpectraBase Compound ID kaE5w05t6c
InChI InChI=1S/C26H24F2N4O3/c27-21-7-3-6-19(14-21)26(33)30-12-10-29(11-13-30)24-16-23(22(28)15-25(24)32(34)35)31-9-8-18-4-1-2-5-20(18)17-31/h1-7,14-16H,8-13,17H2
InChIKey WRFANHGFSHYBAH-UHFFFAOYSA-N
Mol Weight 478.5 g/mol
Molecular Formula C26H24F2N4O3
Exact Mass 478.181647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvkejQOaIC9
Name Isoquinoline, 2-[2-fluoro-5-[4-(3-fluorobenzoyl)-1-piperazinyl]-4-nitrophenyl]-1,2,3,4-tetrahydro-
Alternate Name(s) [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-(3-fluorophenyl)methanone [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-(3-fluorophenyl)methanone [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-(3-fluorophenyl)methanone [4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-(3-fluorophenyl)methanone
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Formula C26H24F2N4O3
InChI InChI=1S/C26H24F2N4O3/c27-21-7-3-6-19(14-21)26(33)30-12-10-29(11-13-30)24-16-23(22(28)15-25(24)32(34)35)31-9-8-18-4-1-2-5-20(18)17-31/h1-7,14-16H,8-13,17H2
InChIKey WRFANHGFSHYBAH-UHFFFAOYSA-N
Molecular Weight 478.500 g/mol
SMILES c1c(c(cc(c1N1CCN(CC1)C(=O)c1cc(ccc1)F)N(=O)=O)F)N1Cc2c(CC1)cccc2
SPLASH splash10-00di-3951100000-460cc30dce0b99e6e41a
Source of Spectrum IY-1-4579-5
Wiley ID 1653778