![1H-Isoindole-1,3(2H)-dione, 2-[[4-(2-benzoyl-4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-4H-1,2,4- triazol-3-yl]methyl]-](/api/spectrum/AsasHxwnR5Q/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[[4-(2-benzoyl-4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-4H-1,2,4- triazol-3-yl]methyl]-")
| SpectraBase Compound ID | 4MvcFz8PdW9 |
|---|---|
| InChI | InChI=1S/C28H24ClN5O3/c1-32(2)15-14-24-30-31-25(17-33-27(36)20-10-6-7-11-21(20)28(33)37)34(24)23-13-12-19(29)16-22(23)26(35)18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3 |
| InChIKey | VFPJOWKDHAZNIA-UHFFFAOYSA-N |
| Mol Weight | 513.99 g/mol |
| Molecular Formula | C28H24ClN5O3 |
| Exact Mass | 513.156767 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AsasHxwnR5Q |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-[[4-(2-benzoyl-4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-4H-1,2,4- triazol-3-yl]methyl]- |
| CAS Registry Number | 61955-42-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H24ClN5O3 |
| InChI | InChI=1S/C28H24ClN5O3/c1-32(2)15-14-24-30-31-25(17-33-27(36)20-10-6-7-11-21(20)28(33)37)34(24)23-13-12-19(29)16-22(23)26(35)18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3 |
| InChIKey | VFPJOWKDHAZNIA-UHFFFAOYSA-N |
| Molecular Weight | 513.985 g/mol |
| SMILES | C1(N(C(c2ccccc12)=O)Cc1[n](-c2c(C(=O)c3ccccc3)cc(cc2)Cl)c(CCN(C)C)nn1)=O |
| SPLASH | splash10-0a4i-9000010000-d6d6f0193abfacfbf3ae |
| Source of Spectrum | Y-17-580-0 |
| Synonyms | 2-({4-(2-benzoyl-4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione 2-[[4-(2-benzoyl-4-chloro-phenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione 2-[[4-(2-benzoyl-4-chloro-phenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone 2-[[4-(2-benzoyl-4-chlorophenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione 2-[[4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione N-[[4-(2-benzoyl-4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl]methyl]phthalimide 2-[[4-(2-benzoyl-4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione 2-[[4-(2-benzoyl-4-chloro-phenyl)-5-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione 2-[[4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione |
| Wiley ID | 1400971 |