(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-[3-(trifluoromethyl)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-(1-Acetylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10094

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(1-acetyl-4-piperidinyl)-1,2,3,4,5,6-hexahydro-9-[3-(trifluoromethyl)phenyl]-, (1R,5S)-;
NAT11-304085

Formula: C25H28F3N3O2

Spectral Data

(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-[3-(trifluoromethyl)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 2286
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8, MS9
Ionization Methods NSI
Analyzers FT
Last Modification 11/27/2020 12:04:13 PM
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Identificators

InChI InChI=1S/C25H28F3N3O2/c1-16(32)29-9-7-21(8-10-29)30-13-17-11-19(15-30)23-6-5-22(24(33)31(23)14-17)18-3-2-4-20(12-18)25(26,27)28/h2-6,12,17,19,21H,7-11,13-15H2,1H3/t17-,19+/m0/s1
InChI Key HBHITWDTZSLANA-PKOBYXMFSA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC(=CC=C5)C(F)(F)F
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(1-acetyl-4-piperidinyl)-1,2,3,4,5,6-hexahydro-9-[3-(trifluoromethyl)phenyl]-, (1R,5S)-;
NAT11-304085

In Other Databases

ChemSpider 21380251
PubChem 25388691