Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(C)C)C(NC(=O)C(=O)CC(=O)NCCc1ncccc1)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
SMILES | CACTVS | 3.341 | CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 |
InChI | InChI | 1.03 | InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | ZPFPZRVOBBMZMP-SFHVURJKSA-N |