(3R,4R)-4-Hydroxy-3-[(4-methoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-azepanecarboxamide

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Systematic / IUPAC Name: (3R,4R)-4-Hydroxy-3-[(4-methoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]azepane-1-carboxamide

ID: Reference9253

Other Names: 1H-Azepine-1-carboxamide, hexahydro-4-hydroxy-3-[(4-methoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]-, (3R,4R)-;
NAT10-368002

Formula: C22H24F3N3O4

Spectral Data

(3R,4R)-4-Hydroxy-3-[(4-methoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-azepanecarboxamide 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 3805
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/20/2019 9:59:56 AM
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Identificators

InChI InChI=1S/C22H24F3N3O4/c1-32-17-9-7-14(8-10-17)20(30)27-18-13-28(11-3-6-19(18)29)21(31)26-16-5-2-4-15(12-16)22(23,24)25/h2,4-5,7-10,12,18-19,29H,3,6,11,13H2,1H3,(H,26,31)(H,27,30)/t18-,19-/m1/s1
InChI Key LHHHCNFCFANTOT-RTBURBONSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)NC2CN(CCCC2O)C(=O)NC3=CC=CC(=C3)C(F)(F)F
CAS
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Other Names 1H-Azepine-1-carboxamide, hexahydro-4-hydroxy-3-[(4-methoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]-, (3R,4R)-;
NAT10-368002

In Other Databases

PubChem 26742081
ChemSpider 21379909