| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C)CCCCC1(c4cc(Oc2c(C#N)ccc(c2)C(N)(c3cncn3C)C)ccc4)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@]1(CCCCN(C)C1=O)c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c4cncn4C)c2 |
| SMILES | CACTVS | 3.341 | CC[C]1(CCCCN(C)C1=O)c2cccc(Oc3cc(ccc3C#N)[C](C)(N)c4cncn4C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)C(C)(c4cncn4C)N |
| InChI | InChI | 1.03 | InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m0/s1 |
| InChIKey | InChI | 1.03 | MHNMEERHZSPWFL-NSOVKSMOSA-N |
