Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)Cn2c4c(nc2)cc(c3c(onc3C)C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-18-17(9-15)21-11-23(18)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3 |
InChIKey | InChI | 1.03 | WPKUYRYYDUHEAQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2ccc3n(Cc4ccc(Cl)cc4)cnc3c2 |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2ccc3n(Cc4ccc(Cl)cc4)cnc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl |