| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3N(C(=NC(CCc2cccc(c1cccc(OC)c1)c2)(C3)C)N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)c2cccc(CC[C@]3(C)CC(=O)N(C)C(=N3)N)c2 |
| SMILES | CACTVS | 3.341 | COc1cccc(c1)c2cccc(CC[C]3(C)CC(=O)N(C)C(=N3)N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | VDFBMQAUECXNKR-OAQYLSRUSA-N |
