Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccc(\N=C3/N=CNc2c3cc(OCCCN1CCOCC1)c(OC)c2)cc4Cl |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2NC=NC(=Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4 |
SMILES | CACTVS | 3.341 | COc1cc2NC=NC(=Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OCCCN3CCOCC3)C(=Nc4ccc(c(c4)Cl)F)N=CN2 |
InChI | InChI | 1.03 | InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
InChIKey | InChI | 1.03 | XGALLCVXEZPNRQ-UHFFFAOYSA-N |