Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12 |
SMILES | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F |
InChI | InChI | 1.03 | InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24) |
InChIKey | InChI | 1.03 | QEHXKZSBSOBCGM-UHFFFAOYSA-N |