Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(c1ccccc1)CC)CCC3=Nc2c(cccc2)C(=O)N3 |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | YAXDRRKYLDEMKO-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3 |
SMILES | CACTVS | 3.370 | CC[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 |