Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccccc1C(=O)NCCc3c2ccccc2nc3C |
InChI | InChI | 1.03 | InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22) |
InChIKey | InChI | 1.03 | UXRKUKRXVWJFER-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]c2ccccc2c1CCNC(=O)c3ccccc3F |
SMILES | CACTVS | 3.370 | Cc1[nH]c2ccccc2c1CCNC(=O)c3ccccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F |