Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2)C)C)C(=O)N3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1cc(Oc2c(C)cc(cc2C)N3N=CC(=O)NC3=O)ccc1O |
SMILES | CACTVS | 3.341 | CC(C)c1cc(Oc2c(C)cc(cc2C)N3N=CC(=O)NC3=O)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3 |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26) |
InChIKey | InChI | 1.03 | RXQAVKWRCZYGMV-UHFFFAOYSA-N |