Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O |
InChI | InChI | 1.03 | InChI=1S/C16H26N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H,17,21)(H,18,22)(H,19,23) |
InChIKey | InChI | 1.03 | LPNCMHPJRSJOIM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 |
SMILES | CACTVS | 3.385 | CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.4 | CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 |