| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC(=O)c2c1c1c3c4n(cc(F)cc42)[Ru]2456(C#[O+])([CH]7=[CH]2[CH]4=[CH]5C76)n3c2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C17H8FN3O2.C5H5.CO.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7;1-2-4-5-3-1;1-2;/h1-6H,(H2,19,20,21,22,23);1-5H;;/q;;2*+1/p-1 |
| InChIKey | InChI | 1.06 | IGUXRLCWWSQJKI-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cnc2c(c1)c3C(=O)NC(=O)c3c4c5ccccc5n([Ru](C#[O+])C6C=CC=C6)c24 |
| SMILES | CACTVS | 3.385 | Fc1cnc2c(c1)c3C(=O)NC(=O)c3c4c5ccccc5n([Ru](C#[O+])C6C=CC=C6)c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c4n2[Ru]5678([CH]9=[CH]5C6[CH]7=[CH]89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c4n2[Ru]5678([CH]9=[CH]5C6[CH]7=[CH]89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+] |
