Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H24ClN5O2/c1-5-25-23(30)13(2)20-22-28-27-14(3)29(22)19-11-10-17(31-4)12-18(19)21(26-20)15-6-8-16(24)9-7-15/h6-13,20H,5H2,1-4H3,(H,25,30)/t13-,20+/m1/s1 |
InChIKey | InChI | 1.03 | LTQHMHHEKFOBRX-XCLFUZPHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
SMILES | CACTVS | 3.385 | CCNC(=O)[CH](C)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)C(C)C1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C |