Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3)C |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(\C=C2/CCCN=C2c3cccnc3)c(OC)c1 |
SMILES | CACTVS | 3.352 | COc1ccc(C=C2CCCN=C2c3cccnc3)c(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 |
SMILES | OpenEye OEToolkits | 1.6.1 | COc1ccc(c(c1)OC)C=C2CCCN=C2c3cccnc3 |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+ |
InChIKey | InChI | 1.03 | RPYWXZCFYPVCNQ-RVDMUPIBSA-N |