ethynylcyclopentane; iron(2+); N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide

Systemtic Name: ethynylcyclopentane; iron(2+); N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide Openeye Name: ferrous; ethynylcyclopentane; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide CAS Name: ethynylcyclopentane; iron(2+); N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]cyclopentanecarboxamide IUPAC Name: ethynylcyclopentane; iron(2+); N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide Traditional Name: ferrous; ethynylcyclopentane; N-[4-[4-(2-methoxyphenyl)piperazino]butyl]cyclopentanecarboxamide Formula: C28H33FeN3O2+2 MolecularWeight: 499.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)[C]3[CH][CH][CH][CH]3.C#C[C]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)[C]3[CH][CH][CH][CH]3.C#C[C]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H28N3O2.C7H5.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-7-5-3-4-6-7;/h2-5,8-11H,6-7,12-17H2,1H3,(H,22,25);1,3-6H;/q;;+2