N-(3-ethynylphenyl)-4,4,4-tris(fluoranyl)-3-(1-methylimidazol-2-yl)-3-oxidanyl-butanamide

Systemtic Name: N-(3-ethynylphenyl)-4,4,4-tris(fluoranyl)-3-(1-methylimidazol-2-yl)-3-oxidanyl-butanamide Openeye Name: N-(3-ethynylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide CAS Name: N-(3-ethynylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methyl-2-imidazolyl)butanamide IUPAC Name: N-(3-ethynylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide Traditional Name: N-(3-ethynylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyramide Formula: C16H14F3N3O2 MolecularWeight: 337.29647

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(CC(=O)NC2=CC=CC(=C2)C#C)(C(F)(F)F)O

Isomeric SMILES

CN1C=CN=C1C(CC(=O)NC2=CC=CC(=C2)C#C)(C(F)(F)F)O

InChI

InChI=1S/C16H14F3N3O2/c1-3-11-5-4-6-12(9-11)21-13(23)10-15(24,16(17,18)19)14-20-7-8-22(14)2/h1,4-9,24H,10H2,2H3,(H,21,23)