Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3 |
InChIKey | InChI | 1.03 | JQUZALVIPZBANO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3 |
SMILES | CACTVS | 3.385 | CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6 |