Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C |
InChI | InChI | 1.03 | InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19) |
InChIKey | InChI | 1.03 | TURNDZZBBPNUCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2 |
SMILES | CACTVS | 3.385 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F |