| SpectraBase Spectrum ID |
1CZeMgek13A |
| Name |
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-3-benzyl-5-fluoro-2-oxo-2,3-dihydro-1H-benzo[D]-imidazole-1-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.175418777 u |
| Formula |
C21H23FN4O3 |
| InChI |
InChI=1S/C21H23FN4O3/c1-21(2,3)17(18(23)27)24-19(28)26-15-10-9-14(22)11-16(15)25(20(26)29)12-13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3,(H2,23,27)(H,24,28) |
| InChIKey |
ZATYYOSOYPKKSW-UHFFFAOYSA-N |
| Molecular Weight |
398.438 g/mol |
| SMILES |
C=12N(C(N(C2=CC(=CC1)F)CC1=CC=CC=C1)=O)C(NC(C(C)(C)C)C(=O)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87486 |
![N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-3-benzyl-5-fluoro-2-oxo-2,3-dihydro-1H-benzo[D]-imidazole-1-carboxamide](/api/spectrum/1CZeMgek13A/structure.png?h=300&w=458 "N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-3-benzyl-5-fluoro-2-oxo-2,3-dihydro-1H-benzo[D]-imidazole-1-carboxamide")
