| PDB CCD ID: | A1AH1 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C19 H24 N2 O |
| InChI: | InChI=1S/C19H24N2O/c1-4-19(16-8-6-5-7-9-16)10-11-21(14-19)17-12-15(2)20(3)18(22)13-17/h5-9,12-13H,4,10-11,14H2,1-3H3/t19-/m0/s1 |
| InChIKey: | LQTQHGNRVSBBOH-IBGZPJMESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC[C@@]1(CCN(C1)C2=CC(=O)N(C(=C2)C)C)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | CCC1(CCN(C1)C2=CC(=O)N(C(=C2)C)C)c3ccccc3 | | CACTVS 3.385 | CC[C]1(CCN(C1)C2=CC(=O)N(C)C(=C2)C)c3ccccc3 | | CACTVS 3.385 | CC[C@@]1(CCN(C1)C2=CC(=O)N(C)C(=C2)C)c3ccccc3 | | ACDLabs 12.01 | CC1=CC(=CC(=O)N1C)N1CCC(C1)(CC)c1ccccc1 |
|
| Name: | 4-[(3R)-3-ethyl-3-phenylpyrrolidin-1-yl]-1,6-dimethylpyridin-2(1H)-one |
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