Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NC(=O)NC2(c1nccn1C)CNC(=O)c4oc3ccc(Cl)cc3c4 |
InChI | InChI | 1.03 | InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | NPWGFJCNOCYDSO-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1[C@]2(CNC(=O)c3oc4ccc(Cl)cc4c3)NC(=O)NC2=O |
SMILES | CACTVS | 3.385 | Cn1ccnc1[C]2(CNC(=O)c3oc4ccc(Cl)cc4c3)NC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | Cn1ccnc1C2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl |