| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CC(c1ccncc1)CCC2N(C(N(c4cccc(NC(=O)c3ccccc3)c4)C/C=C(/C)C)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C31H36N4O2/c1-23(2)18-21-35(29-11-7-10-27(22-29)33-30(36)26-8-5-4-6-9-26)31(37)34(3)28-14-12-24(13-15-28)25-16-19-32-20-17-25/h4-11,16-20,22,24,28H,12-15,21H2,1-3H3,(H,33,36)/t24-,28- |
| InChIKey | InChI | 1.03 | PITIPWBKTYAGSP-XBTDCMMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@H]1CC[C@@H](CC1)c2ccncc2)C(=O)N(CC=C(C)C)c3cccc(NC(=O)c4ccccc4)c3 |
| SMILES | CACTVS | 3.385 | CN([CH]1CC[CH](CC1)c2ccncc2)C(=O)N(CC=C(C)C)c3cccc(NC(=O)c4ccccc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C |
