Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C5N(c4ccc(N3C(=O)c1c(c(nn1c2ccc(OC)cc2)C(=O)N)CC3)cc4)CCCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O |
SMILES | CACTVS | 3.341 | COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O |
InChI | InChI | 1.03 | InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) |
InChIKey | InChI | 1.03 | QNZCBYKSOIHPEH-UHFFFAOYSA-N |