Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 |
InChIKey | InChI | 1.03 | UJARZGSRRXPOTK-GDLZYMKVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnc(C)c1c2cnc3c(c2)n([C@@H](C4CCOCC4)c5ccccc5)c6cc(c(F)cc36)C(C)(C)O |
SMILES | CACTVS | 3.385 | Cn1nnc(C)c1c2cnc3c(c2)n([CH](C4CCOCC4)c5ccccc5)c6cc(c(F)cc36)C(C)(C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n(nn1)C)c2cc3c(c4cc(c(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)F)nc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n(nn1)C)c2cc3c(c4cc(c(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)F)nc2 |