PDB CCD ID: | GY3 |
Number of entries in BioLiP: | 5 |
Chemical formula: | C18 H22 N2 O3 |
InChI: | InChI=1S/C18H22N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h4,10-11,16H,1,5-9H2,2-3H3 |
InChIKey: | CYYDMVKNZPACLF-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C | ACDLabs 12.01 | O=C2N3N(C(=O)C2c1c(\C=C)cc(cc1CC)C)CCOCC3 | CACTVS 3.370 | CCc1cc(C)cc(C=C)c1C2C(=O)N3CCOCCN3C2=O |
|
Name: | 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione |
ZINC: | ZINC000103544004 |