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5,7a-Etheno-7aH-indole-1(2H)-carboxamide, N-cyclohexyl-4,5-dihydro-3-methyl-2-oxo-4-phenyl-6-(trifluoromethyl)-, (4.alpha.,5.beta.,7a.beta.)-(.+-.)-
SpectraBase Compound ID 7tquCsyz1aI
InChI InChI=1S/C25H25F3N2O2/c1-15-21-20(16-8-4-2-5-9-16)18-12-13-24(21,14-19(18)25(26,27)28)30(22(15)31)23(32)29-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17-18,20H,3,6-7,10-11H2,1H3,(H,29,32)/t18-,20+,24+/m0/s1
InChIKey JEGVHWSFRMXRDN-MFSJNOQSSA-N
Mol Weight 442.48 g/mol
Molecular Formula C25H25F3N2O2
Exact Mass 442.186813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fLNFRLGKJr
Name 5,7a-Etheno-7aH-indole-1(2H)-carboxamide, N-cyclohexyl-4,5-dihydro-3-methyl-2-oxo-4-phenyl-6-(trifluoromethyl)-, (4.alpha.,5.beta.,7a.beta.)-(.+-.)-
Alternate Name(s) (1R,6S,7R)-N-cyclohexyl-4-methyl-3-oxo-6-phenyl-8-(trifluoromethyl)-2-azatricyclo[5.2.2.0(1,5)]undeca-4,8,10-triene-2-carboxamide (1RS,6RS,7SR)-2-[n-cyclohexylaminocarbonyl]-4-methyl-6-phenyl-8-trifluoromethyl-2-azatricyclo[5.2.2.0(1,5)]undeca-4,8,10-trien-3-one
CAS Registry Number 122169-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25F3N2O2
InChI InChI=1S/C25H25F3N2O2/c1-15-21-20(16-8-4-2-5-9-16)18-12-13-24(21,14-19(18)25(26,27)28)30(22(15)31)23(32)29-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17-18,20H,3,6-7,10-11H2,1H3,(H,29,32)/t18-,20+,24+/m0/s1
InChIKey JEGVHWSFRMXRDN-MFSJNOQSSA-N
Molecular Weight 442.482 g/mol
SMILES N(C(N1[C@@]23C([C@](c4ccccc4)([C@](C=C3)([H])C(=C2)C(F)(F)F)[H])=C(C1=O)C)=O)C1CCCCC1
SPLASH splash10-00mo-2609700000-44d2ca02bfd90dce1538
Source of Spectrum H-72-63-4
Wiley ID 1385367