Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29) |
InChIKey | InChI | 1.06 | JABKJLQKEVJGOT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(Oc2ccccc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34 |
SMILES | CACTVS | 3.385 | CC(C)c1cc(Oc2ccccc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Oc2ccccc2)C(C)C)NC(=O)c3c4ccccn4nc3O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Oc2ccccc2)C(C)C)NC(=O)c3c4ccccn4nc3O |