Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(C)C)c1ccc(c(Cl)c1)Nc4ncc3c(n(c(c2ocnc2)c3)C(=O)OC(C)(C)C)c4 |
InChI | InChI | 1.03 | InChI=1S/C24H24ClN5O4/c1-24(2,3)34-23(32)30-18-10-21(27-11-15(18)9-19(30)20-12-26-13-33-20)28-17-7-6-14(8-16(17)25)22(31)29(4)5/h6-13H,1-5H3,(H,27,28) |
InChIKey | InChI | 1.03 | VGVIWBCNXYVLQY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)c4ocnc4)c(Cl)c1 |
SMILES | CACTVS | 3.385 | CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)c4ocnc4)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C |