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

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-[3-[2-(2-thienyl)ethynyl]phenyl]isonipecotamide Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S/c30-26(14-12-21-6-2-1-3-7-21)29-17-15-23(16-18-29)27(31)28-24-9-4-8-22(20-24)11-13-25-10-5-19-32-25/h1-10,12,14,19-20,23H,15-18H2,(H,28,31)/b14-12+