Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1c4c(C(N1)=O)cc(c2cccc3C(=O)N(C)C(=Nc23)NC(C)(C)C)n4 |
InChI | InChI | 1.03 | InChI=1S/C20H23N5O2/c1-10-15-13(17(26)21-10)9-14(22-15)11-7-6-8-12-16(11)23-19(24-20(2,3)4)25(5)18(12)27/h6-10,22H,1-5H3,(H,21,26)(H,23,24)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | HLPARXMUJBJYFM-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C)C(=Nc34)NC(C)(C)C |
SMILES | CACTVS | 3.385 | C[CH]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C)C(=Nc34)NC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1 |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1 |