Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc(cc1OC)C1=NN=C(C)C(CC)c2cc(OC)c(cc21)OC |
InChI | InChI | 1.03 | InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3 |
InChIKey | InChI | 1.03 | RUJBDQSFYCKFAA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C |
SMILES | CACTVS | 3.385 | CC[CH]1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1c2cc(c(cc2C(=NN=C1C)c3ccc(c(c3)OC)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC1c2cc(c(cc2C(=NN=C1C)c3ccc(c(c3)OC)OC)OC)OC |