| SpectraBase Spectrum ID |
ADSbXihjtsU |
| Name |
1-(3-Chlorophenyl)-3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]pyrrolidine-2,5-quinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.132382455 u |
| Formula |
C27H25Cl2N3O2 |
| InChI |
InChI=1S/C27H25Cl2N3O2/c28-21-11-9-20(10-12-21)26(19-5-2-1-3-6-19)31-15-13-30(14-16-31)24-18-25(33)32(27(24)34)23-8-4-7-22(29)17-23/h1-12,17,24,26H,13-16,18H2 |
| InChIKey |
XYSSWJJXZFNWDV-UHFFFAOYSA-N |
| Molecular Weight |
494.422 g/mol |
| SMILES |
C=1C=CC(C(N2CCN(C3C(N(C(C3)=O)C3=CC(Cl)=CC=C3)=O)CC2)C2=CC=C(C=C2)Cl)=CC1 |
![1-(3-Chlorophenyl)-3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]pyrrolidine-2,5-quinone](/api/spectrum/ADSbXihjtsU/structure.png?h=300&w=458 "1-(3-Chlorophenyl)-3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]pyrrolidine-2,5-quinone")
