| PDB CCD ID: | Q0I |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C22 H19 Cl N2 O3 |
| InChI: | InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1 |
| InChIKey: | ODIAOSOAUUATBH-QGZVFWFLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | | CACTVS 3.385 | CCC(=O)N(C(=O)[CH]1CCOc2ccc(Cl)cc12)c3cncc4ccccc34 | | ACDLabs 12.01 | CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21 | | OpenEye OEToolkits 2.0.7 | CCC(=O)N(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl | | CACTVS 3.385 | CCC(=O)N(C(=O)[C@@H]1CCOc2ccc(Cl)cc12)c3cncc4ccccc34 |
|
| Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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