Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1 |
InChIKey | InChI | 1.06 | LJVBCQJBIHMYGJ-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([C@H](C)c5ccccc5)c24 |
SMILES | CACTVS | 3.385 | COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](C)c5ccccc5)c24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)c5ccccc5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)c5ccccc5)C |