Systematic / IUPAC Name: (1R,9S)-11-(Pyrazine-2-carbonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference10156
Other Names:
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-(2-pyrazinylcarbonyl)-11-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-288276
Formula: C23H19F3N4O3
(1R,9S)-11-(2-Pyrazinylcarbonyl)-3-[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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1355 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/18/2020 9:40:11 AM |
InChI | InChI=1S/C23H19F3N4O3/c24-23(25,26)33-17-3-1-15(2-4-17)18-5-6-20(31)30-12-14-9-16(21(18)30)13-29(11-14)22(32)19-10-27-7-8-28-19/h1-8,10,14,16H,9,11-13H2/t14-,16+/m0/s1 |
InChI Key | PXKJVMVWEXYKBG-GOEBONIOSA-N |
Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C5=NC=CN=C5 |
CAS | |
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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-(2-pyrazinylcarbonyl)-11-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-; NAT11-288276 |