![(3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide](/api/spectrum/A8ofhDb9CN9/structure.png?h=300&w=458 "(3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide")
| SpectraBase Compound ID | 9CpxTHdZhC9 |
|---|---|
| InChI | InChI=1S/C30H31N3O2/c1-21(22-13-5-2-6-14-22)33-28(29(34)31-24-17-9-4-10-18-24)27(23-15-7-3-8-16-23)32-26-20-12-11-19-25(26)30(33)35/h2-3,5-8,11-16,19-21,24,28H,4,9-10,17-18H2,1H3,(H,31,34)/t21-,28+/m0/s1 |
| InChIKey | ZPMLROYVUXGUKB-RBTNQOKQSA-N |
| Mol Weight | 465.6 g/mol |
| Molecular Formula | C30H31N3O2 |
| Exact Mass | 465.241627 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A8ofhDb9CN9 |
|---|---|
| Name | (3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3hbenzo[E][1,4]diazepine-3-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 465.241627248 u |
| Formula | C30H31N3O2 |
| InChI | InChI=1S/C30H31N3O2/c1-21(22-13-5-2-6-14-22)33-28(29(34)31-24-17-9-4-10-18-24)27(23-15-7-3-8-16-23)32-26-20-12-11-19-25(26)30(33)35/h2-3,5-8,11-16,19-21,24,28H,4,9-10,17-18H2,1H3,(H,31,34)/t21-,28+/m0/s1 |
| InChIKey | ZPMLROYVUXGUKB-RBTNQOKQSA-N |
| Molecular Weight | 465.597 g/mol |
| SMILES | C=1C=C2C(=CC1)N=C(C=1C=CC=CC1)[C@@](N(C2=O)[C@](C1=CC=CC=C1)(C)[H])(C(NC1CCCCC1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930463 |