Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27) |
InChIKey | InChI | 1.03 | ZHUIPHDJCHSZFK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(cc2)c3cc4c(Cl)cc(nc4n3C)C(N)=O |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(cc2)c3cc4c(Cl)cc(nc4n3C)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C |
SMILES | OpenEye OEToolkits | 2.0.5 | Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C |