PDB CCD ID: | R6Q |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H21 F3 N2 O2 |
InChI: | InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27) |
InChIKey: | HIDWEYPGMLIQSN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2 | CACTVS 3.385 | FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1 |
|
Name: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one |
ChEMBL: | CHEMBL1593104 |
ZINC: | ZINC000002563946 |