Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C |
SMILES | CACTVS | 3.352 | CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25) |
InChIKey | InChI | 1.03 | ZXONPSZUOLSXSE-UHFFFAOYSA-N |