Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4 |
InChI | InChI | 1.03 | InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26) |
InChIKey | InChI | 1.03 | SXXAGUWDTVENNX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4 |
SMILES | CACTVS | 3.385 | OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO |