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

Systemtic Name: N-[6-acetamido-4-(2-cyclopentylethynyl)pyridin-2-yl]ethanamide; 2-(2-cyclopentylethynyl)pyrene; iron(2+) Openeye Name: ferrous; N-[6-acetamido-4-(2-cyclopentylethynyl)-2-pyridyl]acetamide; 2-(2-cyclopentylethynyl)pyrene CAS Name: N-[6-acetamido-4-(2-cyclopentylethynyl)-2-pyridinyl]acetamide; 2-(2-cyclopentylethynyl)pyrene; iron(2+) IUPAC Name: N-[6-acetamido-4-(2-cyclopentylethynyl)pyridin-2-yl]acetamide; 2-(2-cyclopentylethynyl)pyrene; iron(2+) Traditional Name: ferrous; N-[6-acetamido-4-(2-cyclopentylethynyl)-2-pyridyl]acetamide; 2-(2-cyclopentylethynyl)pyrene Formula: C39H27FeN3O2+2 MolecularWeight: 625.49558

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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.C1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)C#C[C]5[CH][CH][CH][CH]5.[Fe+2]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=N1)NC(=O)C)C#C[C]2[CH][CH][CH][CH]2.C1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)C#C[C]5[CH][CH][CH][CH]5.[Fe+2]

InChI

InChI=1S/C23H13.C16H14N3O2.Fe/c1-2-5-16(4-1)8-9-17-14-20-12-10-18-6-3-7-19-11-13-21(15-17)23(20)22(18)19;1-11(20)17-15-9-14(8-7-13-5-3-4-6-13)10-16(19-15)18-12(2)21;/h1-7,10-15H;3-6,9-10H,1-2H3,(H2,17,18,19,20,21);/q;;+2