| SpectraBase Spectrum ID |
IypkTmrLBv |
| Name |
1H-1,4-Benzodiazepine, 2,3-dihydro-1-methyl-7-nitro-5-phenyl-2,3-bis(1-piperidinyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.263425321 u |
| Formula |
C26H33N5O2 |
| InChI |
InChI=1S/C26H33N5O2/c1-28-23-14-13-21(31(32)33)19-22(23)24(20-11-5-2-6-12-20)27-25(29-15-7-3-8-16-29)26(28)30-17-9-4-10-18-30/h2,5-6,11-14,19,25-26H,3-4,7-10,15-18H2,1H3 |
| InChIKey |
WXNUSECYSWZHSV-UHFFFAOYSA-N |
| Molecular Weight |
447.583 g/mol |
| SMILES |
C1(N=C(C2=CC(N(=O)=O)=CC=C2N(C1N1CCCCC1)C)C=1C=CC=CC1)N1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833997 |
