Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O2/c1-22-16-8-9-19-17(12-16)20-18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,19,20,21) |
InChIKey | InChI | 1.03 | LGUXBXKDCLNCEH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1 |
SMILES | CACTVS | 3.385 | COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2 |