Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1 |
InChIKey | InChI | 1.03 | CMYNDDNZDLGSJZ-VQTJNVASSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC1(CCN(CC1)C(=O)OCC2CCNCC2)CN[C@@H]3C[C@H]3c4ccccc4 |
SMILES | CACTVS | 3.385 | FC1(CCN(CC1)C(=O)OCC2CCNCC2)CN[CH]3C[CH]3c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F |