Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C |
SMILES | CACTVS | 3.352 | CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26) |
InChIKey | InChI | 1.03 | PPJRWFFVCKGABJ-UHFFFAOYSA-N |