Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc2)N |
SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1cc[n+](CCC[n+]2ccc(cc2)/C=N/O)cc1 |
SMILES | CACTVS | 3.352 | NC(=O)c1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N |
SMILES | OpenEye OEToolkits | 1.6.1 | c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C15H16N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-12H,1,6-7H2,(H-,16,20)/p+2 |
InChIKey | InChI | 1.03 | KCCVYOKFPFWMQG-UHFFFAOYSA-P |