| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)c3nccc(N2C(=O)N(CCC(CCOc1ccc(\C=N\OCC)cc1)C)CC2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C24H31N5O4/c1-3-33-27-17-19-4-6-21(7-5-19)32-15-10-18(2)9-12-28-13-14-29(24(28)31)20-8-11-26-22(16-20)23(25)30/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,25,30)/b27-17+/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | HTAIKSXDOLYLJK-CICSQNLLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(N)=O)cc1 |
| SMILES | CACTVS | 3.385 | CCON=Cc1ccc(OCC[CH](C)CCN2CCN(C2=O)c3ccnc(c3)C(N)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCON=Cc1ccc(cc1)OCCC(C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N |
