Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc4ncc3 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1OC |
SMILES | CACTVS | 3.370 | COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20) |
InChIKey | InChI | 1.03 | ISLVGFDZMORPFI-UHFFFAOYSA-N |