Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc5ccc(c1nnn(c1)C4CN(C(=O)CCCc2ccccc2)C(C(=O)N3CCCC3)C4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1 |
InChIKey | InChI | 1.03 | LGXNBGWSOROIQH-ZCYQVOJMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2cn(nn2)[CH]3C[CH](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCCC(=O)N2CC(CC2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F |