Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc7ccc2c(nc(c1ncccc1)c(c2N5c3cc(cnc3C4(CCOCC4)C5)N6CCOCC6)C)c7 |
InChI | InChI | 1.03 | InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3 |
InChIKey | InChI | 1.03 | JZYCUVQYCHLFBL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1c(nc2cc(F)ccc2c1N3CC4(CCOCC4)c5ncc(cc35)N6CCOCC6)c7ccccn7 |
SMILES | CACTVS | 3.370 | Cc1c(nc2cc(F)ccc2c1N3CC4(CCOCC4)c5ncc(cc35)N6CCOCC6)c7ccccn7 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7 |