Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccc(c1c(nn2c1CCC2)c3nc(ccc3)C)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(n1)c2nn3CCCc3c2c4ccc(F)cc4 |
SMILES | CACTVS | 3.341 | Cc1cccc(n1)c2nn3CCCc3c2c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F |
InChI | InChI | 1.03 | InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3 |
InChIKey | InChI | 1.03 | NBDZLUOYAAVYHF-UHFFFAOYSA-N |