Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C |
InChI | InChI | 1.03 | InChI=1S/C17H25N3O/c1-3-17(10-11-18-12-13-20(17)4-2)16(21)19-14-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,19,21)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | ZQBDTUTZFRWAGO-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN=CC[C@]1(CC)C(=O)NCc2ccccc2 |
SMILES | CACTVS | 3.385 | CCN1CCN=CC[C]1(CC)C(=O)NCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC1(CC=NCCN1CC)C(=O)NCc2ccccc2 |