Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H32N4O3/c1-3-16-35-27(34)32-15-14-31(18-19(32)2)26(33)22-5-4-21-8-11-24(30-25(21)17-22)20-6-9-23(10-7-20)28(29)12-13-28/h4-11,17,19H,3,12-16,18,29H2,1-2H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | LQPPQWZUQVJLGH-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(N)CC5 |
SMILES | CACTVS | 3.385 | CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(N)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCOC(=O)N1CCN(CC1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N |