Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22) |
InChIKey | InChI | 1.03 | PKMWVRXJFLQNGE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C |
SMILES | CACTVS | 3.385 | CC(=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C |