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

ID: Reference10038

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

Formula: C26H23F3N2O4

Spectral Data

(1R,9S)-11-(4-Methoxybenzoyl)-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 1
No. of Spectra 350
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 1:47:05 PM
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Identificators

InChI InChI=1S/C26H23F3N2O4/c1-34-20-6-4-18(5-7-20)24(32)30-13-16-12-19(15-30)23-11-10-22(25(33)31(23)14-16)17-2-8-21(9-3-17)35-26(27,28)29/h2-11,16,19H,12-15H2,1H3/t16-,19+/m0/s1
InChI Key BODXVQSXMZWLBK-QFBILLFUSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=C(C=C5)OC(F)(F)F
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-(4-methoxybenzoyl)-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-

In Other Databases

ChemSpider 5987942
PubChem 7674707