| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1CC#N)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O2/c17-8-7-12-4-1-2-5-13(12)10-15(20)19-9-3-6-14(11-19)16(18)21/h1-2,4-5,14H,3,6-7,9-11H2,(H2,18,21)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | SPTOPDLRNCGQBI-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2CC#N |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CC#N)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CC#N)CC(=O)N2CCCC(C2)C(=O)N |
