Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O |
InChI | InChI | 1.06 | InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | JXLRADUCHRSAKP-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2c([nH]c3ncnc(N4CC[C@@H](C4)N5CCOC5=O)c23)c1 |
SMILES | CACTVS | 3.385 | Fc1ccc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC[C@@H](C4)N5CCOC5=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O |