Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(ccc1Nc2c3c(oc2C(=O)NOCCO)ccnc3)C4CC4 |
InChI | InChI | 1.03 | InChI=1S/C19H18FN3O4/c20-14-9-12(11-1-2-11)3-4-15(14)22-17-13-10-21-6-5-16(13)27-18(17)19(25)23-26-8-7-24/h3-6,9-11,22,24H,1-2,7-8H2,(H,23,25) |
InChIKey | InChI | 1.03 | QSUMKWLIKRKVBF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCONC(=O)c1oc2ccncc2c1Nc3ccc(cc3F)C4CC4 |
SMILES | CACTVS | 3.385 | OCCONC(=O)c1oc2ccncc2c1Nc3ccc(cc3F)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO |