N-phenyl-2-[4-[3-(2-pyridin-2-ylethynyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[3-(2-pyridin-2-ylethynyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[3-[2-(2-pyridyl)ethynyl]benzoyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[oxo-[3-[2-(2-pyridinyl)ethynyl]phenyl]methyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-[3-(2-pyridin-2-ylethynyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[3-[2-(2-pyridyl)ethynyl]benzoyl]piperazino]acetamide Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H24N4O2/c31-25(28-24-10-2-1-3-11-24)20-29-15-17-30(18-16-29)26(32)22-8-6-7-21(19-22)12-13-23-9-4-5-14-27-23/h1-11,14,19H,15-18,20H2,(H,28,31)