Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CN=C(NC(c1ccccc1)c2ccccc2)Nc3ccc(cc3)C#N |
SMILES | CACTVS | 3.341 | OC(=O)CN=C(NC(c1ccccc1)c2ccccc2)Nc3ccc(cc3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N |
InChI | InChI | 1.03 | InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27) |
InChIKey | InChI | 1.03 | KGHMYJFHUHFOGL-UHFFFAOYSA-N |