N-[4-(butylamino)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-2-(2-phenylethynyl)quinoline-4-carboxamide

Systemtic Name: N-[4-(butylamino)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-2-(2-phenylethynyl)quinoline-4-carboxamide Openeye Name: N-[1-benzyl-3-(butylamino)-2-hydroxy-3-oxo-propyl]-2-(2-phenylethynyl)quinoline-4-carboxamide CAS Name: N-[4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(2-phenylethynyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(2-phenylethynyl)quinoline-4-carboxamide Traditional Name: N-[1-benzyl-3-(butylamino)-2-hydroxy-3-keto-propyl]-2-(2-phenylethynyl)cinchoninamide Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C#CC4=CC=CC=C4)O

Isomeric SMILES

CCCCNC(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C#CC4=CC=CC=C4)O

InChI

InChI=1S/C32H31N3O3/c1-2-3-20-33-32(38)30(36)29(21-24-14-8-5-9-15-24)35-31(37)27-22-25(19-18-23-12-6-4-7-13-23)34-28-17-11-10-16-26(27)28/h4-17,22,29-30,36H,2-3,20-21H2,1H3,(H,33,38)(H,35,37)