Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)CCC1N1c2ccccc2N(C)C1=O |
InChI | InChI | 1.06 | InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)/t10-/m0/s1 |
InChIKey | InChI | 1.06 | VFDZUWPTOYTMAL-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N([C@H]2CCC(=O)NC2=O)c3ccccc13 |
SMILES | CACTVS | 3.385 | CN1C(=O)N([CH]2CCC(=O)NC2=O)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2N(C1=O)[C@H]3CCC(=O)NC3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2N(C1=O)C3CCC(=O)NC3=O |