Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4 |
InChI | InChI | 1.03 | InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25) |
InChIKey | InChI | 1.03 | JUUSNAFIFJKARW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cocn4)c(CN)c3 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cocn4)c(CN)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N |