Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H25N5O3/c1-16-13-20(14-17(2)23(16)31)19-5-8-22-27-25(28-30(22)15-19)26-21-6-3-18(4-7-21)24(32)29-9-11-33-12-10-29/h3-8,13-15,31H,9-12H2,1-2H3,(H,26,28) |
InChIKey | InChI | 1.03 | SBPRNAZJEHULEN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cc(C)c1O)c2ccc3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2 |
SMILES | CACTVS | 3.385 | Cc1cc(cc(C)c1O)c2ccc3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5 |