Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H21Cl2N3O/c26-19-8-6-17(7-9-19)15-30-24-22(5-2-11-28-24)21-10-12-29(16-23(21)25(30)31)14-18-3-1-4-20(27)13-18/h1-9,11,13H,10,12,14-16H2 |
InChIKey | InChI | 1.03 | JCFSCDLNZWVEMF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)c5cccnc25)cc1 |
SMILES | CACTVS | 3.385 | Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)c5cccnc25)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4c3cccn4)Cc5ccc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4c3cccn4)Cc5ccc(cc5)Cl |