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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2/c22-17-7-4-8-18(20(17)23)24-21(27)16-11-13-25(14-12-16)19(26)10-9-15-5-2-1-3-6-15/h1-10,16H,11-14H2,(H,24,27)/b10-9+