Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(=O)C1CN2CCN(CC2C1c1ccccc1)CC1CC1 |
InChI | InChI | 1.06 | InChI=1S/C18H25N3O/c19-18(22)15-11-21-9-8-20(10-13-6-7-13)12-16(21)17(15)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H2,19,22)/t15-,16-,17+/m1/s1 |
InChIKey | InChI | 1.06 | WOFJHRFOLYRTIS-ZACQAIPSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CN2CCN(CC3CC3)C[C@@H]2[C@H]1c4ccccc4 |
SMILES | CACTVS | 3.385 | NC(=O)[CH]1CN2CCN(CC3CC3)C[CH]2[CH]1c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2[C@@H](CN3[C@@H]2CN(CC3)CC4CC4)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2C(CN3C2CN(CC3)CC4CC4)C(=O)N |