A1IQU
Summary
| Name: | ~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide |
| Formula: | C18 H14 N3 O2 |
| Formal charge: | 1 |
| Formula weight: | 304.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-10-ium-4-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H13N3O2/c22-18(20-23)13-9-7-12(8-10-13)17-16-6-3-11-21(16)15-5-2-1-4-14(15)19-17/h1-11H,(H2,19,20,22,23)/p+1 |
| InChIKey | InChI | 1.06 | UIYKYEMVZGDMRC-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(c-3ccc[n+]23)c4ccc(cc4)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(c-3ccc[n+]23)c4ccc(cc4)C(=O)NO |
