![1-[5-(2-benzyloxy-3,5-dichloro-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone](/api/spectrum/EWalYuAYy5q/structure.png?h=300&w=458 "1-[5-(2-benzyloxy-3,5-dichloro-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone")
| SpectraBase Compound ID | 99r85eu8xdB |
|---|---|
| InChI | InChI=1S/C31H28Cl2N4O2/c1-21(38)30-34-37(26-12-8-5-9-13-26)31(36(30)25-16-14-24(15-17-25)35(2)3)27-18-23(32)19-28(33)29(27)39-20-22-10-6-4-7-11-22/h4-19,31H,20H2,1-3H3 |
| InChIKey | QOBAQQWDDYTIAJ-UHFFFAOYSA-N |
| Mol Weight | 559.5 g/mol |
| Molecular Formula | C31H28Cl2N4O2 |
| Exact Mass | 558.158932 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EWalYuAYy5q |
|---|---|
| Name | 1-[5-(2-benzyloxy-3,5-dichloro-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone |
| Alternate Name(s) | 1-[3-(2-benzoxy-3,5-dichloro-phenyl)-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-(2-benzyloxy-3,5-dichloro-phenyl)-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-(3,5-dichloro-2-phenylmethoxyphenyl)-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[3,5-bis(chloranyl)-2-phenylmethoxy-phenyl]-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-(3,5-dichloro-2-phenylmethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-(2-benzyloxy-3,5-dichloro-phenyl)-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[3,5-bis(chloranyl)-2-phenylmethoxy-phenyl]-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H28Cl2N4O2 |
| InChI | InChI=1S/C31H28Cl2N4O2/c1-21(38)30-34-37(26-12-8-5-9-13-26)31(36(30)25-16-14-24(15-17-25)35(2)3)27-18-23(32)19-28(33)29(27)39-20-22-10-6-4-7-11-22/h4-19,31H,20H2,1-3H3 |
| InChIKey | QOBAQQWDDYTIAJ-UHFFFAOYSA-N |
| Molecular Weight | 559.497 g/mol |
| SMILES | c1ccc(COc2c(C3N(C(=NN3c3ccccc3)C(=O)C)c3ccc(cc3)N(C)C)cc(cc2Cl)Cl)cc1 |
| SPLASH | splash10-08fr-3905130000-8294aeb663bccd4ec04e |
| Wiley ID | 1455220 |