Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H22N4O3/c1-2-32-18-11-9-17(10-12-18)24-21-22(19-7-3-4-8-20(19)30)27-28-23(21)25(31)29(24)15-16-6-5-13-26-14-16/h3-14,24,30H,2,15H2,1H3,(H,27,28)/t24-/m1/s1 |
InChIKey | InChI | 1.03 | OPUCTGDZUQCRQM-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1)[C@H]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24 |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)C2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O |