| SpectraBase Spectrum ID |
3MycexDCXpS |
| Name |
Adamantane-1-carboxylic acid 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.155370370 u |
| Formula |
C26H25ClN2O3 |
| InChI |
InChI=1S/C26H25ClN2O3/c27-19-6-7-21-20(11-19)22(18-4-2-1-3-5-18)29-24(23(30)28-21)32-25(31)26-12-15-8-16(13-26)10-17(9-15)14-26/h1-7,11,15-17,24H,8-10,12-14H2,(H,28,30)/t15-,16+,17-,24?,26- |
| InChIKey |
KBBRQAJUTOKJFY-YWZDHIMTSA-N |
| Molecular Weight |
448.950 g/mol |
| SMILES |
C1(=NC(C(NC2=C1C=C(C=C2)Cl)=O)OC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C1=CC=CC=C1 |
![Adamantane-1-carboxylic acid 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester](/api/spectrum/3MycexDCXpS/structure.png?h=300&w=458 "Adamantane-1-carboxylic acid 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester")
