9H5
Summary
| Name: | [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone |
| Formula: | C16 H17 I2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 537.134 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17I2N3O2/c1-19-6-8-21(9-7-19)16(23)11-10-12(17)14(13(18)15(11)22)20-4-2-3-5-20/h2-5,10,22H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | GGYKNHZCHUFDBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2cc(I)c(n3cccc3)c(I)c2O |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2cc(I)c(n3cccc3)c(I)c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I |
