| SpectraBase Spectrum ID |
HrVdubeewzN |
| Name |
N-Butyl-3-oxo-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.173941610 u |
| Formula |
C20H23N3O3 |
| InChI |
InChI=1S/C20H23N3O3/c1-2-3-11-22-20(25)19-16-9-4-5-10-17(16)26-14-18(24)23(19)13-15-8-6-7-12-21-15/h4-10,12,19H,2-3,11,13-14H2,1H3,(H,22,25) |
| InChIKey |
GVCJKZABNJIJKD-UHFFFAOYSA-N |
| Molecular Weight |
353.422 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=CC=N1)C(=O)NCCCC)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851114 |
![N-Butyl-3-oxo-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide (isomer 2)](/api/spectrum/HrVdubeewzN/structure.png?h=300&w=458 "N-Butyl-3-oxo-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide (isomer 2)")
