Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NO)CCCCCCNC(=O)c1ccc(N(C)C)cc1 |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO |
SMILES | CACTVS | 3.370 | CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20) |
InChIKey | InChI | 1.03 | MXWDSZWTBOCWBK-UHFFFAOYSA-N |