Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1CC1)c5cc(c2ccc3c(c2)cnnc3c4ccccc4C)c(cc5)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1c2nncc3cc(ccc23)c4cc(ccc4C)C(=O)NC5CC5 |
SMILES | CACTVS | 3.341 | Cc1ccccc1c2nncc3cc(ccc23)c4cc(ccc4C)C(=O)NC5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5 |
InChI | InChI | 1.03 | InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30) |
InChIKey | InChI | 1.03 | GQXMJOSCBRZMKE-UHFFFAOYSA-N |