| PDB CCD ID: | CQC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H17 N3 O4 |
| InChI: | InChI=1S/C21H17N3O4/c1-12-17(21(28)23(2)22-12)18(25)14-8-9-15-16(10-14)20(27)24(19(15)26)11-13-6-4-3-5-7-13/h3-10,25H,11H2,1-2H3/b18-17- |
| InChIKey: | ZWUMMDOCWXLHBD-ZCXUNETKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1N=C(C)C(=C(O)/c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)\C1=O | | OpenEye OEToolkits 2.0.7 | CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C | | CACTVS 3.385 | CN1N=C(C)C(=C(O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)C1=O | | OpenEye OEToolkits 2.0.7 | CC1=NN(C(=O)C1=C(c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O)C |
|
| Name: | 5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione |
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