(3R,4R)-3-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}amino)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-azepanecarboxamide

enlarge

Systematic / IUPAC Name: (3R,4R)-3-[[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-hydroxy-N-[3-(trifluoromethyl)phenyl]azepane-1-carboxamide

ID: Reference9231

Other Names: 1H-Azepine-1-carboxamide, 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]amino]hexahydro-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-, (3R,4R)-;
NAT10-368110

Formula: C27H29F3N4O5

Spectral Data

(3R,4R)-3-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}amino)-4-hydroxy-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3837
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 10:20:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H29F3N4O5/c1-16-22(17(2)39-33-16)15-38-21-10-8-18(9-11-21)25(36)32-23-14-34(12-4-7-24(23)35)26(37)31-20-6-3-5-19(13-20)27(28,29)30/h3,5-6,8-11,13,23-24,35H,4,7,12,14-15H2,1-2H3,(H,31,37)(H,32,36)/t23-,24-/m1/s1
InChI Key FZYKQCHQQIPNJV-DNQXCXABSA-N
Canonical SMILES CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NC3CN(CCCC3O)C(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
Splash
Other Names 1H-Azepine-1-carboxamide, 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]amino]hexahydro-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-, (3R,4R)-;
NAT10-368110

In Other Databases

PubChem 45360398
ChemSpider 21379948