Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C22H19ClN2O2/c23-16-6-7-20-18(12-16)22(9-11-27-20)8-3-10-25(21(22)26)19-14-24-13-15-4-1-2-5-17(15)19/h1-2,4-7,12-14H,3,8-11H2/t22-/m1/s1 |
InChIKey | InChI | 1.06 | SVWQDFXKODKDNW-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2OCC[C@]3(CCCN(C3=O)c4cncc5ccccc45)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2OCC[C]3(CCCN(C3=O)c4cncc5ccccc45)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2N3CCC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2N3CCCC4(C3=O)CCOc5c4cc(cc5)Cl |