Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) |
InChIKey | InChI | 1.03 | OFCLARYYBGKCHN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3 |
SMILES | CACTVS | 3.385 | COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC |