Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(CNC(=O)C2CCCN2C(=O)Cn2nc(c3ccccc32)C(N)=O)c1F |
InChI | InChI | 1.06 | InChI=1S/C22H21ClFN5O3/c23-15-7-3-5-13(19(15)24)11-26-22(32)17-9-4-10-28(17)18(30)12-29-16-8-2-1-6-14(16)20(27-29)21(25)31/h1-3,5-8,17H,4,9-12H2,(H2,25,31)(H,26,32)/t17-/m0/s1 |
InChIKey | InChI | 1.06 | CNXBYALMVOPTMF-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)NCc3cccc(Cl)c3F)c4ccccc14 |
SMILES | CACTVS | 3.385 | NC(=O)c1nn(CC(=O)N2CCC[CH]2C(=O)NCc3cccc(Cl)c3F)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(nn2CC(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4F)Cl)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(nn2CC(=O)N3CCCC3C(=O)NCc4cccc(c4F)Cl)C(=O)N |