Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c2N1)C(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C16H12F3N3O3/c1-2-25-15(24)11-8-20-22-13(23)7-12(21-14(11)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,21H,2H2,1H3 |
InChIKey | InChI | 1.03 | TWBQZWQWRZJYPA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cnn2C(=O)C=C(Nc12)c3ccc(cc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | CCOC(=O)c1cnn2C(=O)C=C(Nc12)c3ccc(cc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cnn2c1NC(=CC2=O)c3ccc(cc3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cnn2c1NC(=CC2=O)c3ccc(cc3)C(F)(F)F |