Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CN(C)C(=O)Cn1nnc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C16H15ClN4O/c1-20(10-12-5-4-6-13(17)9-12)16(22)11-21-15-8-3-2-7-14(15)18-19-21/h2-9H,10-11H2,1H3 |
InChIKey | InChI | 1.06 | HSYVELSOLBWEKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1cccc(Cl)c1)C(=O)Cn2nnc3ccccc23 |
SMILES | CACTVS | 3.385 | CN(Cc1cccc(Cl)c1)C(=O)Cn2nnc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1cccc(c1)Cl)C(=O)Cn2c3ccccc3nn2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1cccc(c1)Cl)C(=O)Cn2c3ccccc3nn2 |