Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(O)ccc1\C=C2/CCCN=C2c3cccnc3 |
SMILES | CACTVS | 3.352 | COc1cc(O)ccc1C=C2CCCN=C2c3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O |
SMILES | OpenEye OEToolkits | 1.6.1 | COc1cc(ccc1C=C2CCCN=C2c3cccnc3)O |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+ |
InChIKey | InChI | 1.03 | KXAAIPFSUGPVMQ-GXDHUFHOSA-N |