N-[(4-fluorophenyl)methyl]-4-phenyl-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-phenyl-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-phenyl-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(1-oxo-3-phenylprop-2-ynyl)-4-phenyl-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-phenyl-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-phenyl-1-(3-phenylpropioloyl)isonipecotamide Formula: C28H25FN2O2 MolecularWeight: 440.508703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H25FN2O2/c29-25-14-11-23(12-15-25)21-30-27(33)28(24-9-5-2-6-10-24)17-19-31(20-18-28)26(32)16-13-22-7-3-1-4-8-22/h1-12,14-15H,17-21H2,(H,30,33)