| SpectraBase Spectrum ID |
H1mRFYWih9R |
| Name |
2-Propyl-pentanoic acid 7-bromo-5-(2-chlorophenyl)-2-oxo-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 |
490.065883338 u |
| Formula |
C23H24BrClN2O3 |
| InChI |
InChI=1S/C23H24BrClN2O3/c1-3-7-14(8-4-2)23(29)30-22-21(28)26-19-12-11-15(24)13-17(19)20(27-22)16-9-5-6-10-18(16)25/h5-6,9-14,22H,3-4,7-8H2,1-2H3,(H,26,28) |
| InChIKey |
DPRVOWRREADFTQ-UHFFFAOYSA-N |
| Molecular Weight |
491.813 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)OC(=O)C(CCC)CCC)C1=C(Cl)C=CC=C1 |
![2-Propyl-pentanoic acid 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester](/api/spectrum/H1mRFYWih9R/structure.png?h=300&w=458 "2-Propyl-pentanoic acid 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester")
