Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1F)NC(=O)C(=O)NCC3c2c(cccc2)CCN3 |
InChI | InChI | 1.03 | InChI=1S/C18H17ClFN3O2/c19-14-6-5-12(9-15(14)20)23-18(25)17(24)22-10-16-13-4-2-1-3-11(13)7-8-21-16/h1-6,9,16,21H,7-8,10H2,(H,22,24)(H,23,25)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | REQBBGSBIRNOFT-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1cc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc23)ccc1Cl |
SMILES | CACTVS | 3.370 | Fc1cc(NC(=O)C(=O)NC[CH]2NCCc3ccccc23)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCNC2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl |