| PDB CCD ID: | ZMM |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H18 N2 O2 |
| InChI: | InChI=1S/C20H18N2O2/c1-21-13-18(16-8-2-3-9-17(16)20(21)24)14-6-4-7-15(12-14)22-11-5-10-19(22)23/h2-4,6-9,12-13H,5,10-11H2,1H3 |
| InChIKey: | IQHRPUHKLPCOKF-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1C=C(c2ccccc2C1=O)c3cccc(c3)N4CCCC4=O | | CACTVS 3.385 | CN1C=C(c2cccc(c2)N3CCCC3=O)c4ccccc4C1=O | | ACDLabs 12.01 | O=C1CCCN1c1cccc(c1)C1=CN(C)C(=O)c2ccccc12 |
|
| Name: | 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one |
| ChEMBL: | CHEMBL5170344 |
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