Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-12-16(30-3)10-11-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1 |
InChIKey | InChI | 1.03 | WAXCRXSIHVMWFF-UTKZUKDTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]([C@@H]1N=C(c2ccc(Cl)cc2)c3ccc(OC)cc3n4c(C)nnc14)C(=O)OC |
SMILES | CACTVS | 3.385 | CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3ccc(OC)cc3n4c(C)nnc14)C(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC |