SpectraBase Spectrum ID |
HIOeC3vUC5I |
Name |
N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-2-(trifluoromethyl)benzamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.171162476 u |
Formula |
C22H23F3N2O2 |
InChI |
InChI=1S/C22H23F3N2O2/c1-15-8-2-3-9-16(15)14-27-13-7-6-12-19(21(27)29)26-20(28)17-10-4-5-11-18(17)22(23,24)25/h2-5,8-11,19H,6-7,12-14H2,1H3,(H,26,28) |
InChIKey |
VLSICDLKKIFHKW-UHFFFAOYSA-N |
Molecular Weight |
404.433 g/mol |
SMILES |
C(C1=C(C=CC=C1)C(F)(F)F)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |