Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H23ClN4O/c22-18-5-3-4-16(12-18)14-23-21(27)17-6-7-20-19(13-17)24-15-26(20)11-10-25-8-1-2-9-25/h3-7,12-13,15H,1-2,8-11,14H2,(H,23,27) |
InChIKey | InChI | 1.03 | KDORBCZWJTXUAC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1 |
SMILES | CACTVS | 3.385 | Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4 |