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1H-azepine, 1-[5-[4-(2,6-difluorobenzoyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl]hexahydro-
SpectraBase Compound ID 6e3UnSPH4Ve
InChI InChI=1S/C23H25F3N4O3/c24-16-6-5-7-17(25)22(16)23(31)29-12-10-28(11-13-29)20-15-19(18(26)14-21(20)30(32)33)27-8-3-1-2-4-9-27/h5-7,14-15H,1-4,8-13H2
InChIKey PGNMHVLNSYSKNS-UHFFFAOYSA-N
Mol Weight 462.47 g/mol
Molecular Formula C23H25F3N4O3
Exact Mass 462.187875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7wqTasAgsk
Name [4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-(2,6-difluorophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F3N4O3
InChI InChI=1S/C23H25F3N4O3/c24-16-6-5-7-17(25)22(16)23(31)29-12-10-28(11-13-29)20-15-19(18(26)14-21(20)30(32)33)27-8-3-1-2-4-9-27/h5-7,14-15H,1-4,8-13H2
InChIKey PGNMHVLNSYSKNS-UHFFFAOYSA-N
Molecular Weight 462.473 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)F)N1CCCCCC1)N1CCN(C(c2c(F)cccc2F)=O)CC1
SPLASH splash10-0006-4910000000-f1bb9a61232f2a0d7279
Synonyms [4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-[2,6-bis(fluoranyl)phenyl]methanone [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-(2,6-difluorophenyl)methanone
Wiley ID 1453059