Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F |
InChI | InChI | 1.03 | InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24) |
InChIKey | InChI | 1.03 | KJJIMZOASWDMDJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(NC(=O)N2CCc3n[nH]c(c3C2)c4ccccc4)cc1Cl |
SMILES | CACTVS | 3.385 | Fc1ccc(NC(=O)N2CCc3n[nH]c(c3C2)c4ccccc4)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F |