Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3 |
InChIKey | InChI | 1.03 | RKBYYWVZFBATHQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)N4CCNCC4 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)N4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4 |