Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc3oc(C(=O)Nc2cc(ccc2N1CCC(C)CC1)CO)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC1CCN(CC1)c2ccc(CO)cc2NC(=O)c3oc(cc3)C#N |
SMILES | CACTVS | 3.341 | CC1CCN(CC1)c2ccc(CO)cc2NC(=O)c3oc(cc3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24) |
InChIKey | InChI | 1.03 | NNPCFFIJVKYGHR-UHFFFAOYSA-N |