2-(4-ethynyl-2-oxidanylidene-azepan-1-yl)butanamide

Systemtic Name: 2-(4-ethynyl-2-oxidanylidene-azepan-1-yl)butanamide Openeye Name: 2-(4-ethynyl-2-oxo-azepan-1-yl)butanamide CAS Name: 2-(4-ethynyl-2-oxo-1-azepanyl)butanamide IUPAC Name: 2-(4-ethynyl-2-oxoazepan-1-yl)butanamide Traditional Name: 2-(4-ethynyl-2-keto-azepan-1-yl)butyramide Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-3-9-6-5-7-14(11(15)8-9)10(4-2)12(13)16/h1,9-10H,4-8H2,2H3,(H2,13,16)