Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2c(OC1CCNCC1)cccc2)NC(=[N@H])Cc3cccc(OC)c3 |
InChI | InChI | 1.03 | InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25) |
InChIKey | InChI | 1.03 | WTWXRFGIIFJWMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)CC(=N)NC(=O)c2ccccc2OC3CCNCC3 |