Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cnccc1C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C18H17Cl2N3O/c19-14-7-13-12(4-6-22-16(13)8-15(14)20)18(24)23-17-9-21-5-3-11(17)10-1-2-10/h3,5,7-10,12,22H,1-2,4,6H2,(H,23,24)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | SAWVWQKOOIRWCC-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2NCC[C@@H](C(=O)Nc3cnccc3C4CC4)c2cc1Cl |
SMILES | CACTVS | 3.385 | Clc1cc2NCC[CH](C(=O)Nc3cnccc3C4CC4)c2cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc(c1C2CC2)NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1C2CC2)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl |