Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | DJSWNINDPRRCLC-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](COc1ccccc1)NC(=O)c2cnc3n(ncc3c4ccc(cc4)C(C)C)c2C |
SMILES | CACTVS | 3.385 | C[CH](COc1ccccc1)NC(=O)c2cnc3n(ncc3c4ccc(cc4)C(C)C)c2C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cnc2n1ncc2c3ccc(cc3)C(C)C)C(=O)N[C@H](C)COc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnc2n1ncc2c3ccc(cc3)C(C)C)C(=O)NC(C)COc4ccccc4 |