Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 |
SMILES_CANONICAL | CACTVS | 3.370 | F[C@H]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[C@H](F)C5)cc4nc3c2)C1 |
SMILES | CACTVS | 3.370 | F[CH]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[CH](F)C5)cc4nc3c2)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCC(C4)F)NC(=O)CCN5CCC(C5)F |
InChI | InChI | 1.03 | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m0/s1 |
InChIKey | InChI | 1.03 | LWWRDCOEZPEHNJ-SFTDATJTSA-N |