| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | SPXFAUXQZWJGCJ-ROUUACIJSA-N |
| SMILES | ACDLabs | 12.01 | O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(CCCc1ccccc1)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N |
| SMILES | CACTVS | 3.370 | O=C(CCCc1ccccc1)N2CCC[CH]2C(=O)N3CCC[CH]3C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCCC(=O)N2CCCC2C(=O)N3CCCC3C#N |
