Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3N=C(\C=C\C(=O)NC(Cc1ccccc1)CO)Nc2ccccc23 |
InChI | InChI | 1.03 | InChI=1S/C20H19N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-11,15,24H,12-13H2,(H,21,25)(H,22,23,26)/b11-10+/t15-/m0/s1 |
InChIKey | InChI | 1.03 | VFWJQFJBFDGGJD-NKSUMMKUSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H](Cc1ccccc1)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2 |
SMILES | CACTVS | 3.370 | OC[CH](Cc1ccccc1)NC(=O)C=CC2=NC(=O)c3ccccc3N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(CO)NC(=O)C=CC2=NC(=O)c3ccccc3N2 |