Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(Nc1ncc(cn1)C(NO)=O)(CCC(CC2)(F)F)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22) |
InChIKey | InChI | 1.03 | MRWCVKLVSWYIFO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c3ccccc3)nc1 |
SMILES | CACTVS | 3.385 | ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c3ccccc3)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO |