| PDB CCD ID: | XHL |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H18 Cl N5 O2 |
| InChI: | InChI=1S/C16H18ClN5O2/c1-10(23)22-8-6-11(7-9-22)14-15(16(24)21-19-14)20-18-13-4-2-12(17)3-5-13/h2-5,11,15H,6-9H2,1H3,(H,21,24)/b20-18+ |
| InChIKey: | ZVRZZOUKHHKXIN-CZIZESTLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=Nc3ccc(cc3)Cl | | OpenEye OEToolkits 2.0.7 | CC(=O)N1CCC(CC1)C2=NNC(=O)[C@H]2/N=N/c3ccc(cc3)Cl | | ACDLabs 12.01 | CC(=O)N1CCC(CC1)C1=NNC(=O)C1/N=N/c1ccc(Cl)cc1 | | CACTVS 3.385 | CC(=O)N1CCC(CC1)C2=NNC(=O)[CH]2N=Nc3ccc(Cl)cc3 | | CACTVS 3.385 | CC(=O)N1CCC(CC1)C2=NNC(=O)[C@H]2N=Nc3ccc(Cl)cc3 |
|
| Name: | (4R)-5-(1-acetylpiperidin-4-yl)-4-[(E)-(4-chlorophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one |
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