Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23 |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22) |
InChIKey | InChI | 1.03 | ACXGELCLQKZFMQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES | CACTVS | 3.385 | OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO |