Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1 |
SMILES | CACTVS | 3.341 | CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22) |
InChIKey | InChI | 1.03 | UYJZZVDLGDDTCL-UHFFFAOYSA-N |