Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1 |
InChIKey | InChI | 1.03 | QZSZPSDRJPPZDZ-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)[C@]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5 |
SMILES | CACTVS | 3.385 | Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cnc1)C(=O)N2CCN3C2(c4cnccc4C3=O)c5ccc(cc5)Cl |