Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.341 | Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 |
InChI | InChI | 1.03 | InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H |
InChIKey | InChI | 1.03 | VNFPBHJOKIVQEB-UHFFFAOYSA-N |