Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3 |
SMILES | CACTVS | 3.341 | Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H12ClFN2O2/c18-14-8-6-11(10-12-7-9-15(22)21-20-12)16(19)17(14)23-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22) |
InChIKey | InChI | 1.03 | NOVPOXGMADEKPP-UHFFFAOYSA-N |