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3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-(1-oxopentyl)-5-phenyl-1-cyclohex-2-enone
SpectraBase Compound ID 7QR5Z2a5lFw
InChI InChI=1S/C29H31F3N2O3/c1-3-4-10-26(35)28-25(15-20(16-27(28)36)19-8-6-5-7-9-19)33-14-13-22-18(2)34-24-12-11-21(17-23(22)24)37-29(30,31)32/h5-9,11-12,17,20,33-34H,3-4,10,13-16H2,1-2H3
InChIKey ATBPRHWKWAODOY-UHFFFAOYSA-N
Mol Weight 512.57 g/mol
Molecular Formula C29H31F3N2O3
Exact Mass 512.228677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0OiUcLrinA
Name 3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-(1-oxopentyl)-5-phenyl-1-cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31F3N2O3
InChI InChI=1S/C29H31F3N2O3/c1-3-4-10-26(35)28-25(15-20(16-27(28)36)19-8-6-5-7-9-19)33-14-13-22-18(2)34-24-12-11-21(17-23(22)24)37-29(30,31)32/h5-9,11-12,17,20,33-34H,3-4,10,13-16H2,1-2H3
InChIKey ATBPRHWKWAODOY-UHFFFAOYSA-N
Molecular Weight 512.573 g/mol
SMILES N(C1=C(C(CC(c2ccccc2)C1)=O)C(=O)CCCC)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-054o-9760000000-2a37c3796e7981d7d2e2
Synonyms 3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-en-1-one 3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-phenyl-2-valeryl-cyclohex-2-en-1-one 3-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-en-1-one
Wiley ID 1445762