cyclopentane; 5-cyclopentyl-1-methyl-3-phenyl-pyrazole; iron(2+)

Systemtic Name: cyclopentane; 5-cyclopentyl-1-methyl-3-phenyl-pyrazole; iron(2+) Openeye Name: ferrous; cyclopentane; 5-cyclopentyl-1-methyl-3-phenyl-pyrazole CAS Name: cyclopentane; 5-cyclopentyl-1-methyl-3-phenylpyrazole; iron(2+) IUPAC Name: cyclopentane; 5-cyclopentyl-1-methyl-3-phenylpyrazole; iron(2+) Traditional Name: ferrous; cyclopentane; 5-cyclopentyl-1-methyl-3-phenyl-pyrazole Formula: C20H18FeN2+2 MolecularWeight: 342.21532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C15H13N2.C5H5.Fe/c1-17-15(13-9-5-6-10-13)11-14(16-17)12-7-3-2-4-8-12;1-2-4-5-3-1;/h2-11H,1H3;1-5H;/q;;+2