| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(N=C(N)N1C)C4CC4c3ccc(c2cccc(c2)C)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C21H21N3O/c1-13-4-3-5-16(10-13)14-6-8-15(9-7-14)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | STUBOTPNCNDBOA-ROUUACIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=NC(=CC1=O)[C@H]2C[C@H]2c3ccc(cc3)c4cccc(C)c4)N |
| SMILES | CACTVS | 3.370 | CN1C(=NC(=CC1=O)[CH]2C[CH]2c3ccc(cc3)c4cccc(C)c4)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1)c2ccc(cc2)C3CC3C4=CC(=O)N(C(=N4)N)C |
