Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(nc1ncccc1c(n2)N4c3ccc(cc3CCC4)OC)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3 |
InChIKey | InChI | 1.03 | HAZYKJFAXKILAD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ncccc34 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ncccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl |