4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide
4601
Reference
4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide Structure
Systematic / IUPAC Name: 4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide
ID: Reference4601
Other Names: 1H-1,4-Diazepine-1-carboxamide, hexahydro-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-
Formula: C19H19F3N4O3
Spectral Data
4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/21/2016 1:00:42 PM |
Identificators
| InChI | InChI=1S/C19H19F3N4O3/c20-19(21,22)14-7-8-16(17(13-14)26(28)29)24-9-4-10-25(12-11-24)18(27)23-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,23,27) |
| InChI Key | AFWZIJWCDZWCIS-UHFFFAOYSA-N |
| Canonical SMILES | |
| CAS | |
| Splash | |
| Other Names | 1H-1,4-Diazepine-1-carboxamide, hexahydro-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl- |
In Other Databases
| ChemSpider | 2074768 |
| PubChem | 2795892 |
| ChEMBL | CHEMBL1380541 |