Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2N=CN(C)C(=O)c12 |
InChI | InChI | 1.03 | InChI=1S/C26H25Cl2N7O5/c1-13-11-40-4-3-35(13)20-7-19(18(28)8-30-20)32-21(36)10-34-9-16(22-25(34)31-12-33(2)26(22)39)14-5-15(24(29)38)23(37)17(27)6-14/h5-9,12-13,37H,3-4,10-11H2,1-2H3,(H2,29,38)(H,30,32,36)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | NDRFFOKFYGUOKD-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1COCCN1c2cc(NC(=O)Cn3cc(c4cc(Cl)c(O)c(c4)C(N)=O)c5C(=O)N(C)C=Nc35)c(Cl)cn2 |
SMILES | CACTVS | 3.385 | C[CH]1COCCN1c2cc(NC(=O)Cn3cc(c4cc(Cl)c(O)c(c4)C(N)=O)c5C(=O)N(C)C=Nc35)c(Cl)cn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N |