2-ethynyl-N-(1-oxidanylidene-3-phenyl-propan-2-yl)-3-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: 2-ethynyl-N-(1-oxidanylidene-3-phenyl-propan-2-yl)-3-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-benzyl-2-oxo-ethyl)-2-ethynyl-3-(2-pyridyl)quinoline-4-carboxamide CAS Name: 2-ethynyl-N-(1-oxo-3-phenylpropan-2-yl)-3-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 2-ethynyl-N-(1-oxo-3-phenylpropan-2-yl)-3-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(1-benzyl-2-keto-ethyl)-2-ethynyl-3-(2-pyridyl)cinchoninamide Formula: C26H19N3O2 MolecularWeight: 405.44796

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC2=CC=CC=C2C(=C1C3=CC=CC=N3)C(=O)NC(CC4=CC=CC=C4)C=O

Isomeric SMILES

C#CC1=NC2=CC=CC=C2C(=C1C3=CC=CC=N3)C(=O)NC(CC4=CC=CC=C4)C=O

InChI

InChI=1S/C26H19N3O2/c1-2-21-25(23-14-8-9-15-27-23)24(20-12-6-7-13-22(20)29-21)26(31)28-19(17-30)16-18-10-4-3-5-11-18/h1,3-15,17,19H,16H2,(H,28,31)