Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24) |
InChIKey | InChI | 1.06 | TZPBRECIFDSTLA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(CCC1)C(=O)Nc2ccccc2c3onc(n3)C4CC4 |
SMILES | CACTVS | 3.385 | OC(=O)C1=C(CCC1)C(=O)Nc2ccccc2c3onc(n3)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2nc(no2)C3CC3)NC(=O)C4=C(CCC4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2nc(no2)C3CC3)NC(=O)C4=C(CCC4)C(=O)O |