| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCC(=O)N(CCc2c3ccc(C#N)cc3[NH]c2C)C1 |
| InChI | InChI | 1.06 | InChI=1S/C18H20N4O2/c1-11-14(15-4-2-12(9-19)8-16(15)21-11)6-7-22-10-13(18(20)24)3-5-17(22)23/h2,4,8,13,21H,3,5-7,10H2,1H3,(H2,20,24)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | JJVAWSBGUDDHFE-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2cc(ccc2c1CCN3C[C@H](CCC3=O)C(N)=O)C#N |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2cc(ccc2c1CCN3C[CH](CCC3=O)C(N)=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c2ccc(cc2[nH]1)C#N)CCN3C[C@H](CCC3=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c2ccc(cc2[nH]1)C#N)CCN3CC(CCC3=O)C(=O)N |
