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1H-azepine, 1-[5-[4-(3,4-difluorobenzoyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl]hexahydro-
SpectraBase Compound ID Af8ABOjFHiL
InChI InChI=1S/C23H25F3N4O3/c24-17-6-5-16(13-18(17)25)23(31)29-11-9-28(10-12-29)21-15-20(19(26)14-22(21)30(32)33)27-7-3-1-2-4-8-27/h5-6,13-15H,1-4,7-12H2
InChIKey IPSDHRPCEURIFD-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 IBYzHGleApF
Name [4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-(3,4-difluorophenyl)methanone
Alternate Name(s) [4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-[3,4-bis(fluoranyl)phenyl]methanone [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-(3,4-difluorophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F3N4O3
InChI InChI=1S/C23H25F3N4O3/c24-17-6-5-16(13-18(17)25)23(31)29-11-9-28(10-12-29)21-15-20(19(26)14-22(21)30(32)33)27-7-3-1-2-4-8-27/h5-6,13-15H,1-4,7-12H2
InChIKey IPSDHRPCEURIFD-UHFFFAOYSA-N
Molecular Weight 462.473 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)F)N1CCCCCC1)N1CCN(C(c2cc(F)c(cc2)F)=O)CC1
SPLASH splash10-0006-4930000000-a71c81621c2d5a18fe93
Wiley ID 1464958