Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(nnc(c1)c2cc(c(cn2)N)C)C(N4CCOCC4Cc3c(cccc3OC)Cl)=O |
InChI | InChI | 1.03 | InChI=1S/C22H24ClN5O3/c1-13-8-18(25-11-17(13)24)19-10-20(27-26-19)22(29)28-6-7-31-12-14(28)9-15-16(23)4-3-5-21(15)30-2/h3-5,8,10-11,14H,6-7,9,12,24H2,1-2H3,(H,26,27)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | ZAPLCZOOCDRDCZ-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Cl)c1C[C@@H]2COCCN2C(=O)c3[nH]nc(c3)c4cc(C)c(N)cn4 |
SMILES | CACTVS | 3.385 | COc1cccc(Cl)c1C[CH]2COCCN2C(=O)c3[nH]nc(c3)c4cc(C)c(N)cn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOCC3Cc4c(cccc4Cl)OC |