| SpectraBase Spectrum ID |
CkeCl1qHSBJ |
| Name |
4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(4-methoxyphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.147786430 u |
| Formula |
C25H22N2O6 |
| InChI |
InChI=1S/C25H22N2O6/c1-30-18-9-7-17(8-10-18)26-25(29)24-19-4-2-3-5-20(19)31-14-23(28)27(24)13-16-6-11-21-22(12-16)33-15-32-21/h2-12,24H,13-15H2,1H3,(H,26,29) |
| InChIKey |
GVKZHXKYWGESHC-UHFFFAOYSA-N |
| Molecular Weight |
446.459 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=C3OCOC3=C1)C(=O)NC1=CC=C(C=C1)OC)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85544 |
![4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(4-methoxyphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/CkeCl1qHSBJ/structure.png?h=300&w=458 "4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(4-methoxyphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
