| SpectraBase Spectrum ID |
HunK1qpWWua |
| Name |
7-Benzoyl-3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[B,E][1,4]diazepin-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.155849193 u |
| Formula |
C26H24N2O2S |
| InChI |
InChI=1S/C26H24N2O2S/c1-26(2)14-20-23(21(29)15-26)24(22-9-6-12-31-22)28-18-11-10-17(13-19(18)27-20)25(30)16-7-4-3-5-8-16/h3-13,24,27-28H,14-15H2,1-2H3 |
| InChIKey |
MNLOQRCRYSFXEA-UHFFFAOYSA-N |
| Molecular Weight |
428.550 g/mol |
| SMILES |
C12=C(NC=3C=C(C(=O)C4=CC=CC=C4)C=CC3NC1C=1SC=CC1)CC(CC2=O)(C)C |
![7-Benzoyl-3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one](/api/spectrum/HunK1qpWWua/structure.png?h=300&w=458 "7-Benzoyl-3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one")
