N-[6-acetamido-4-(2-cyclopentylethynyl)pyridin-2-yl]ethanamide; cyclopentane; iron(2+)

Systemtic Name: N-[6-acetamido-4-(2-cyclopentylethynyl)pyridin-2-yl]ethanamide; cyclopentane; iron(2+) Openeye Name: ferrous; N-[6-acetamido-4-(2-cyclopentylethynyl)-2-pyridyl]acetamide; cyclopentane CAS Name: N-[6-acetamido-4-(2-cyclopentylethynyl)-2-pyridinyl]acetamide; cyclopentane; iron(2+) IUPAC Name: N-[6-acetamido-4-(2-cyclopentylethynyl)pyridin-2-yl]acetamide; cyclopentane; iron(2+) Traditional Name: ferrous; N-[6-acetamido-4-(2-cyclopentylethynyl)-2-pyridyl]acetamide; cyclopentane Formula: C21H19FeN3O2+2 MolecularWeight: 401.23946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=N1)NC(=O)C)C#C[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=N1)NC(=O)C)C#C[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H14N3O2.C5H5.Fe/c1-11(20)17-15-9-14(8-7-13-5-3-4-6-13)10-16(19-15)18-12(2)21;1-2-4-5-3-1;/h3-6,9-10H,1-2H3,(H2,17,18,19,20,21);1-5H;/q;;+2