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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(phenylmethyl)-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide Openeye Name: 4-benzyl-N-[(4-fluorophenyl)methyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(1-oxo-3-phenylprop-2-ynyl)-4-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 4-benzyl-N-[(4-fluorophenyl)methyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide Traditional Name: 4-benzyl-N-(4-fluorobenzyl)-1-(3-phenylpropioloyl)isonipecotamide Formula: C29H27FN2O2 MolecularWeight: 454.535283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H27FN2O2/c30-26-14-11-25(12-15-26)22-31-28(34)29(21-24-9-5-2-6-10-24)17-19-32(20-18-29)27(33)16-13-23-7-3-1-4-8-23/h1-12,14-15H,17-22H2,(H,31,34)