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

ID: Reference9932

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[(4-fluorophenyl)methyl]-1,2,3,4,5,6-hexahydro-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-286840

Formula: C25H22F4N2O2

Spectral Data

(1R,9S)-11-(4-Fluorobenzyl)-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 1673
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 8:40:59 AM
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Identificators

InChI InChI=1S/C25H22F4N2O2/c26-20-5-1-16(2-6-20)12-30-13-17-11-19(15-30)23-10-9-22(24(32)31(23)14-17)18-3-7-21(8-4-18)33-25(27,28)29/h1-10,17,19H,11-15H2/t17-,19+/m0/s1
InChI Key IMAPGRJVDPVDGO-PKOBYXMFSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)CC5=CC=C(C=C5)F
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[(4-fluorophenyl)methyl]-1,2,3,4,5,6-hexahydro-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-286840

In Other Databases

ChemSpider 5987981
PubChem 7674751