| PDB CCD ID: | 4XA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H19 N3 O2 |
| InChI: | InChI=1S/C22H19N3O2/c1-15-9-18-13-25(14-19(18)10-16(15)2)20-6-3-5-17(11-20)22(26)24-23-12-21-7-4-8-27-21/h3-14H,1-2H3,(H,24,26)/b23-12+ |
| InChIKey: | JOUFONRDAYRIBB-FSJBWODESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4occc4 | | OpenEye OEToolkits 1.9.2 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4ccco4 | | ACDLabs 12.01 | c1c(C)c(cc2c1cn(c2)c4cc(C(=O)NN=[C@H]c3occc3)ccc4)C | | OpenEye OEToolkits 1.9.2 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4 | | CACTVS 3.385 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4occc4 |
|
| Name: | 3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide |
| ZINC: | ZINC000584905132 |
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