Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H23Cl2N5O/c1-20(12-23)7-10-26(11-8-20)19-24-27-9-6-14(17(27)18(28)25(19)2)13-4-3-5-15(21)16(13)22/h3-6,9H,7-8,10-12,23H2,1-2H3 |
InChIKey | InChI | 1.06 | CURVWOSSQXPKOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2n(ccc2c3cccc(Cl)c3Cl)N=C1N4CCC(C)(CN)CC4 |
SMILES | CACTVS | 3.385 | CN1C(=O)c2n(ccc2c3cccc(Cl)c3Cl)N=C1N4CCC(C)(CN)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)C2=Nn3ccc(c3C(=O)N2C)c4cccc(c4Cl)Cl)CN |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)C2=Nn3ccc(c3C(=O)N2C)c4cccc(c4Cl)Cl)CN |