Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C18H13N3O/c19-10-14-5-3-4-13(8-14)9-18(22)21-17-12-20-11-15-6-1-2-7-16(15)17/h1-8,11-12H,9H2,(H,21,22) |
InChIKey | InChI | 1.06 | BVFDAXUESDGGQS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccc(c1)C#N)Nc2cncc3ccccc23 |
SMILES | CACTVS | 3.385 | O=C(Cc1cccc(c1)C#N)Nc2cncc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C#N |