| PDB CCD ID: | V1B |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H17 N3 O2 |
| InChI: | InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+ |
| InChIKey: | BWBPGOKJGLWQEA-NBEIKUQISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5 | | CACTVS 3.385 | O=C1N[C@]2(C[C@H](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45 | | CACTVS 3.385 | O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45 |
|
| Name: | 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione |
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