Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | MISZEAYFRRVHET-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(COCC(=N1)N)c2cccc(Nc3cccc4cc(Cl)cnc34)c2 |
SMILES | CACTVS | 3.385 | C[C]1(COCC(=N1)N)c2cccc(Nc3cccc4cc(Cl)cnc34)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl |