2-[2-oxidanylidene-4-[3,3,3-tris(fluoranyl)prop-1-ynyl]azepan-1-yl]butanamide

Systemtic Name: 2-[2-oxidanylidene-4-[3,3,3-tris(fluoranyl)prop-1-ynyl]azepan-1-yl]butanamide Openeye Name: 2-[2-oxo-4-(3,3,3-trifluoroprop-1-ynyl)azepan-1-yl]butanamide CAS Name: 2-[2-oxo-4-(3,3,3-trifluoroprop-1-ynyl)-1-azepanyl]butanamide IUPAC Name: 2-[2-oxo-4-(3,3,3-trifluoroprop-1-ynyl)azepan-1-yl]butanamide Traditional Name: 2-[2-keto-4-(3,3,3-trifluoroprop-1-ynyl)azepan-1-yl]butyramide Formula: C13H17F3N2O2 MolecularWeight: 290.28149

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)N1CCCC(CC1=O)C#CC(F)(F)F

Isomeric SMILES

CCC(C(=O)N)N1CCCC(CC1=O)C#CC(F)(F)F

InChI

InChI=1S/C13H17F3N2O2/c1-2-10(12(17)20)18-7-3-4-9(8-11(18)19)5-6-13(14,15)16/h9-10H,2-4,7-8H2,1H3,(H2,17,20)