N-(1-oxidanyl-3-phenyl-propan-2-yl)-2-(2-pyridin-2-ylethynyl)quinoline-4-carboxamide

Systemtic Name: N-(1-oxidanyl-3-phenyl-propan-2-yl)-2-(2-pyridin-2-ylethynyl)quinoline-4-carboxamide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-2-[2-(2-pyridyl)ethynyl]quinoline-4-carboxamide CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(2-pyridinyl)ethynyl]-4-quinolinecarboxamide IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-2-(2-pyridin-2-ylethynyl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-2-[2-(2-pyridyl)ethynyl]cinchoninamide Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC(=NC3=CC=CC=C32)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC(=NC3=CC=CC=C32)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H21N3O2/c30-18-22(16-19-8-2-1-3-9-19)29-26(31)24-17-21(14-13-20-10-6-7-15-27-20)28-25-12-5-4-11-23(24)25/h1-12,15,17,22,30H,16,18H2,(H,29,31)