Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22) |
InChIKey | InChI | 1.06 | CLLYBOMGFSNDSO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccc(c1)C#C)Nc2cncc3ccccc23 |
SMILES | CACTVS | 3.385 | O=C(Cc1cccc(c1)C#C)Nc2cncc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 |