| SpectraBase Spectrum ID |
1DOZyxJlv72 |
| Name |
neoisotopsentin |
| CAS Registry Number |
116725-90-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H14N4O2 |
| InChI |
InChI=1S/C20H14N4O2/c25-11-5-6-17-13(7-11)15(9-22-17)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24) |
| InChIKey |
NIIUPQXHHVGQCH-UHFFFAOYSA-N |
| Molecular Weight |
342.358 g/mol |
| SMILES |
[nH]1c2c(c(-c3nc(C(c4c[nH]c5c4cc(cc5)O)=O)[nH]c3)c1)cccc2 |
| SPLASH |
splash10-0006-0439000000-42f2112a2471b99ae2a1 |
| Source of Spectrum |
J-53-5453-7 |
| Synonyms |
neotopsentin
(5-hydroxy-1H-indol-3-yl)[4-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone |
| Wiley ID |
1336606 |
