Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29) |
InChIKey | InChI | 1.06 | WDGQVCRQXSYPCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl)ccc34 |
SMILES | CACTVS | 3.385 | CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3ccnc4c3ccc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3ccnc4c3ccc(c4)Cl |