Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5 |
InChI | InChI | 1.03 | InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | AUYCSWFYKYVCLD-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N5CCOCC5 |
SMILES | CACTVS | 3.385 | CC(C)(O)[CH](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O |