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

Systemtic Name: N-(1-oxidanyl-3-phenyl-propan-2-yl)-2-(2-phenylethynyl)quinoline-4-carboxamide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-2-(2-phenylethynyl)quinoline-4-carboxamide CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)-2-(2-phenylethynyl)-4-quinolinecarboxamide IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-2-(2-phenylethynyl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-2-(2-phenylethynyl)cinchoninamide Formula: C27H22N2O2 MolecularWeight: 406.47578

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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=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC(=NC3=CC=CC=C32)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O2/c30-19-23(17-21-11-5-2-6-12-21)29-27(31)25-18-22(16-15-20-9-3-1-4-10-20)28-26-14-8-7-13-24(25)26/h1-14,18,23,30H,17,19H2,(H,29,31)