Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22) |
InChIKey | InChI | 1.06 | QSGGZCHNCXCCMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3 |