Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H30N10O3/c1-33(23-10-8-21-27-29-25(37-2)35(21)31-23)16-17-39-20-6-4-18(5-7-20)19-12-14-34(15-13-19)24-11-9-22-28-30-26(38-3)36(22)32-24/h4-11,19H,12-17H2,1-3H3 |
InChIKey | InChI | 1.03 | LQHDIGAYVSAVRJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nnc2ccc(nn12)N(C)CCOc3ccc(cc3)C4CCN(CC4)c5ccc6nnc(OC)n6n5 |
SMILES | CACTVS | 3.385 | COc1nnc2ccc(nn12)N(C)CCOc3ccc(cc3)C4CCN(CC4)c5ccc6nnc(OC)n6n5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC |