cyclopentane; 3-(2-cyclopentylphenyl)-1-phenyl-pyrazole-4-carbaldehyde; iron(2+)

Systemtic Name: cyclopentane; 3-(2-cyclopentylphenyl)-1-phenyl-pyrazole-4-carbaldehyde; iron(2+) Openeye Name: ferrous; cyclopentane; 3-(2-cyclopentylphenyl)-1-phenyl-pyrazole-4-carbaldehyde CAS Name: cyclopentane; 3-(2-cyclopentylphenyl)-1-phenyl-4-pyrazolecarboxaldehyde; iron(2+) IUPAC Name: cyclopentane; 3-(2-cyclopentylphenyl)-1-phenylpyrazole-4-carbaldehyde; iron(2+) Traditional Name: ferrous; cyclopentane; 3-(2-cyclopentylphenyl)-1-phenyl-pyrazole-4-carbaldehyde Formula: C26H20FeN2O+2 MolecularWeight: 432.2948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3[C]4[CH][CH][CH][CH]4)C=O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3[C]4[CH][CH][CH][CH]4)C=O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H15N2O.C5H5.Fe/c24-15-17-14-23(18-10-2-1-3-11-18)22-21(17)20-13-7-6-12-19(20)16-8-4-5-9-16;1-2-4-5-3-1;/h1-15H;1-5H;/q;;+2