Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(Nc1cc([N+]([O-])=O)ccc1N2CCN(CC2)C)c3ccccc3ccn4 |
InChI | InChI | 1.03 | InChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)19-7-6-16(25(26)27)14-18(19)22-20-17-5-3-2-4-15(17)8-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22) |
InChIKey | InChI | 1.03 | BAIHXTXZZNBSED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(cc2Nc3nccc4ccccc34)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(cc2Nc3nccc4ccccc34)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-] |