(1R,9S)-11-(4-Fluorobenzoyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-11-(4-Fluorobenzoyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10053

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-284587

Formula: C25H20F4N2O3

Spectral Data

(1R,9S)-11-(4-Fluorobenzoyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 828
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2020 11:18:48 AM
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Identificators

InChI InChI=1S/C25H20F4N2O3/c26-19-5-1-17(2-6-19)23(32)30-12-15-11-18(14-30)22-10-9-21(24(33)31(22)13-15)16-3-7-20(8-4-16)34-25(27,28)29/h1-10,15,18H,11-14H2/t15-,18+/m0/s1
InChI Key ZVNIDNAUFJNUEY-MAUKXSAKSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C5=CC=C(C=C5)F
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-284587

In Other Databases

ChemSpider 10086754
PubChem 11912431