Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3 |
SMILES | CACTVS | 3.341 | Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F |
InChI | InChI | 1.03 | InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23) |
InChIKey | InChI | 1.03 | XJJYJNMNYDNXNO-UHFFFAOYSA-N |