Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3 |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23) |
InChIKey | InChI | 1.03 | LYCCCRFBRDLGGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES | CACTVS | 3.385 | CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO |