| PDB CCD ID: | QZU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H20 Cl N3 O3 |
| InChI: | InChI=1S/C23H20ClN3O3/c1-2-21(28)26-14-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)27-19-13-25-12-15-5-3-4-6-17(15)19/h2-8,11-13H,1,9-10,14H2,(H,26,28)(H,27,29)/t23-/m0/s1 |
| InChIKey: | DWQRAXAUIMRQLB-QHCPKHFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C=CC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | | ACDLabs 12.01 | C=CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | CACTVS 3.385 | Clc1ccc2OCC[C](CNC(=O)C=C)(C(=O)Nc3cncc4ccccc34)c2c1 | | CACTVS 3.385 | Clc1ccc2OCC[C@@](CNC(=O)C=C)(C(=O)Nc3cncc4ccccc34)c2c1 | | OpenEye OEToolkits 2.0.7 | C=CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
|
| Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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