Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc6ccc2c(nc(c1cccnc1)c(c2N5c4cc(N3CCOCC3)ccc4C(C)(C)C5)C)c6 |
InChI | InChI | 1.03 | InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3 |
InChIKey | InChI | 1.03 | IGGNGGDYLDZKTR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1c(nc2cc(F)ccc2c1N3CC(C)(C)c4ccc(cc34)N5CCOCC5)c6cccnc6 |
SMILES | CACTVS | 3.370 | Cc1c(nc2cc(F)ccc2c1N3CC(C)(C)c4ccc(cc34)N5CCOCC5)c6cccnc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C |