Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2C([Se]c1ccccc1)=CN(C(=O)N2)COCCO |
SMILES_CANONICAL | CACTVS | 3.341 | OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O4Se/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18) |
InChIKey | InChI | 1.03 | KFSPSGWABMNFIY-UHFFFAOYSA-N |