Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CN1CCN(CC1)C(C)=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C17H20N4O2/c1-13(22)21-8-6-20(7-9-21)12-17(23)19-16-11-18-10-14-4-2-3-5-15(14)16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23) |
InChIKey | InChI | 1.06 | SIFMSWJDYLFFPS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3ccccc23 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 |