Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | SBOSVLRBKPEZMQ-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12 |
SMILES | CACTVS | 3.385 | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C |