Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29) |
InChIKey | InChI | 1.03 | SXLQSQMKOYVAAW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C(=O)NCc2ccc(Cl)cc2)C(=O)c3cc(CN4CCOCC4)ccc13 |
SMILES | CACTVS | 3.385 | CN1C=C(C(=O)NCc2ccc(Cl)cc2)C(=O)c3cc(CN4CCOCC4)ccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl |