N-(2-chloranyl-4-fluoranyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)Cl)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)Cl)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20ClFN2O2/c22-18-14-17(23)7-8-19(18)24-21(27)16-10-12-25(13-11-16)20(26)9-6-15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,24,27)/b9-6+