(4aS,9aR)-6-Oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-N-[3-(trifluoromethyl)phenyl]decahydro-2H-pyrido[3,4-d]azepine-2-carboxamide

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Systematic / IUPAC Name: (4aS,9aR)-6-Oxo-7-[2-(2-oxoimidazolidin-1-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide

ID: Reference9310

Other Names: 2H-Pyrido[3,4-d]azepine-2-carboxamide, decahydro-6-oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-, (4aS,9aR)-;
NAT14-346086

Formula: C22H28F3N5O3

Spectral Data

(4aS,9aR)-6-Oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-N-[3-(trifluoromethyl)phenyl]decahydro-2H-pyrido[3,4-d]azepine-2-carboxamide 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 2923
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2020 2:12:42 PM
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Identificators

InChI InChI=1S/C22H28F3N5O3/c23-22(24,25)17-2-1-3-18(13-17)27-21(33)30-8-4-15-12-19(31)28(7-5-16(15)14-30)10-11-29-9-6-26-20(29)32/h1-3,13,15-16H,4-12,14H2,(H,26,32)(H,27,33)/t15-,16-/m0/s1
InChI Key PXZLRYVWYAAIBT-HOTGVXAUSA-N
Canonical SMILES C1CN(CC2C1CC(=O)N(CC2)CCN3CCNC3=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F
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Other Names 2H-Pyrido[3,4-d]azepine-2-carboxamide, decahydro-6-oxo-7-[2-(2-oxo-1-imidazolidinyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-, (4aS,9aR)-;
NAT14-346086

In Other Databases

ChemSpider 21384705
PubChem 26742858