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N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-3-oxo-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide

View entire compound with spectra: 1 FTIR

N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-3-oxo-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide
SpectraBase Compound ID AQ4tnuzxTRt
InChI InChI=1S/C24H21N3O5/c28-22-15-32-19-6-2-1-5-18(19)23(27(22)14-16-4-3-9-25-13-16)24(29)26-17-7-8-20-21(12-17)31-11-10-30-20/h1-9,12-13,23H,10-11,14-15H2,(H,26,29)
InChIKey RXYQWEIKJGYLMA-UHFFFAOYSA-N
Mol Weight 431.45 g/mol
Molecular Formula C24H21N3O5
Exact Mass 431.148121 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KBJGb7pHzHm
Name N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-3-oxo-4-(pyridin-3-ylmethyl)-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 431.148120783 u
Formula C24H21N3O5
InChI InChI=1S/C24H21N3O5/c28-22-15-32-19-6-2-1-5-18(19)23(27(22)14-16-4-3-9-25-13-16)24(29)26-17-7-8-20-21(12-17)31-11-10-30-20/h1-9,12-13,23H,10-11,14-15H2,(H,26,29)
InChIKey RXYQWEIKJGYLMA-UHFFFAOYSA-N
Molecular Weight 431.448 g/mol
SMILES C1OC=2C(C(N(C1=O)CC1=CN=CC=C1)C(=O)NC=1C=CC=3OCCOC3C1)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91227