| SpectraBase Spectrum ID |
JXpiu1fM0IG |
| Name |
7-Benzyl-2-phenyl-6-(1-phenylethyl)-6,7,8,9(5H)-tetrahydro-[1,2,4]-triazolo[1,5-C][1,3]-diazepin-5-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.210661472 u |
| Formula |
C27H26N4O |
| InChI |
InChI=1S/C27H26N4O/c1-20(22-13-7-3-8-14-22)30-24(19-21-11-5-2-6-12-21)17-18-25-28-26(29-31(25)27(30)32)23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3 |
| InChIKey |
SIGFRVCXJGCOIZ-UHFFFAOYSA-N |
| Molecular Weight |
422.532 g/mol |
| SMILES |
C1CC=2N(N=C(N2)C2=CC=CC=C2)C(N(C1CC1=CC=CC=C1)C(C)C1=CC=CC=C1)=O |
![7-Benzyl-2-phenyl-6-(1-phenylethyl)-6,7,8,9(5H)-tetrahydro-[1,2,4]-triazolo[1,5-C][1,3]-diazepin-5-one](/api/spectrum/JXpiu1fM0IG/structure.png?h=300&w=458 "7-Benzyl-2-phenyl-6-(1-phenylethyl)-6,7,8,9(5H)-tetrahydro-[1,2,4]-triazolo[1,5-C][1,3]-diazepin-5-one")
