Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4(C)CC(N)CC(c3c(NC(c1nc(c(cc1)F)c2c(cccc2F)F)=O)cncc3)C4 |
InChI | InChI | 1.03 | InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1 |
InChIKey | InChI | 1.03 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H](N)C[C@@H](C1)c2ccncc2NC(=O)c3ccc(F)c(n3)c4c(F)cccc4F |
SMILES | CACTVS | 3.385 | C[CH]1C[CH](N)C[CH](C1)c2ccncc2NC(=O)c3ccc(F)c(n3)c4c(F)cccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F |