| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(Cc1cc(on1)C1CC1)C(=O)c1cc(cc(\N=[N+]=[N-])c1)c1ccc2OCCc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C23H21N5O3/c1-28(13-20-12-22(31-26-20)14-2-3-14)23(29)18-9-17(10-19(11-18)25-27-24)15-4-5-21-16(8-15)6-7-30-21/h4-5,8-12,14H,2-3,6-7,13H2,1H3 |
| InChIKey | InChI | 1.06 | QUHPTGKAAIBODP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1cc(on1)C2CC2)C(=O)c3cc(cc(c3)c4ccc5OCCc5c4)N=[N+]=[N-] |
| SMILES | CACTVS | 3.385 | CN(Cc1cc(on1)C2CC2)C(=O)c3cc(cc(c3)c4ccc5OCCc5c4)N=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1cc(on1)C2CC2)C(=O)c3cc(cc(c3)N=[N+]=[N-])c4ccc5c(c4)CCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1cc(on1)C2CC2)C(=O)c3cc(cc(c3)N=[N+]=[N-])c4ccc5c(c4)CCO5 |
