Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)CCCC)C |
InChI | InChI | 1.03 | InChI=1S/C16H20N4O3/c1-3-4-10-20-13(17)12(14(21)18-16(20)23)19(2)15(22)11-8-6-5-7-9-11/h5-9H,3-4,10,17H2,1-2H3,(H,18,21,23) |
InChIKey | InChI | 1.03 | DXPUKFZNLUENQV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1C(=O)NC(=O)C(=C1N)N(C)C(=O)c2ccccc2 |
SMILES | CACTVS | 3.385 | CCCCN1C(=O)NC(=O)C(=C1N)N(C)C(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N |