| SpectraBase Spectrum ID |
Iyx9nqUUpso |
| Name |
2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1-[4-(4-phenylpiperazin-1-yl)butyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.129152301 u |
| Formula |
C29H30BrClN4O |
| InChI |
InChI=1S/C29H30BrClN4O/c30-22-12-13-27-25(20-22)29(24-10-4-5-11-26(24)31)32-21-28(36)35(27)15-7-6-14-33-16-18-34(19-17-33)23-8-2-1-3-9-23/h1-5,8-13,20H,6-7,14-19,21H2 |
| InChIKey |
CLKWRJPHBIYYJQ-UHFFFAOYSA-N |
| Molecular Weight |
565.943 g/mol |
| SMILES |
C12=C(C=CC(=C2)Br)N(CCCCN2CCN(CC2)C2=CC=CC=C2)C(=O)CN=C1C=1C(=CC=CC1)Cl |
![2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1-[4-(4-phenylpiperazin-1-yl)butyl]-](/api/spectrum/Iyx9nqUUpso/structure.png?h=300&w=458 "2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1-[4-(4-phenylpiperazin-1-yl)butyl]-")
