Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C |
InChI | InChI | 1.03 | InChI=1S/C16H20N4O/c1-12-10-18-7-2-14(12)20-8-3-13(4-9-20)15(21)19-16(11-17)5-6-16/h2,7,10,13H,3-6,8-9H2,1H3,(H,19,21) |
InChIKey | InChI | 1.03 | VADYKWPOUVEKIU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
SMILES | CACTVS | 3.385 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |