Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : 0OQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H17F3N2O2/c20-19(21,22)15-6-4-13(5-7-15)18(26)23-9-12-8-14(11-23)16-2-1-3-17(25)24(16)10-12/h1-7,12,14H,8-11H2/t12-,14+/m0/s1
2 InChIKey InChI 1.03 FENJYCPCZAMGTO-GXTWGEPZSA-N
3 SMILES ACDLabs 12.01 FC(F)(F)c1ccc(cc1)C(=O)N4CC3CN2C(=O)C=CC=C2C(C3)C4
4 SMILES CACTVS 3.370 FC(F)(F)c1ccc(cc1)C(=O)N2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)C(F)(F)F
6 Canonical SMILES CACTVS 3.370 FC(F)(F)c1ccc(cc1)C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F