Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2 |
InChIKey | InChI | 1.03 | BBDGBGOVJPEFBT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5cccc6ncccc56 |
SMILES | CACTVS | 3.385 | C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5cccc6ncccc56 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 |