Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)Nc1noc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C20H16N4O4/c25-17-8-7-15(19(26)22-17)24-10-11-9-12(5-6-13(11)20(24)27)21-18-14-3-1-2-4-16(14)28-23-18/h1-6,9,15H,7-8,10H2,(H,21,23)(H,22,25,26)/t15-/m0/s1 |
InChIKey | InChI | 1.06 | AJUZTJBGJWQZFW-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](N2Cc3cc(Nc4noc5ccccc45)ccc3C2=O)C(=O)N1 |
SMILES | CACTVS | 3.385 | O=C1CC[CH](N2Cc3cc(Nc4noc5ccccc45)ccc3C2=O)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(no2)Nc3ccc4c(c3)CN(C4=O)[C@H]5CCC(=O)NC5=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(no2)Nc3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O |