Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N |
InChI | InChI | 1.06 | InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2 |
InChIKey | InChI | 1.06 | KFDIFJWRZNKQEO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | Nc1cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N |