cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-yl-5-phenyl-1-(phenylmethyl)pyrazole; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-yl-5-phenyl-1-(phenylmethyl)pyrazole; iron(2+) Openeye Name: ferrous; 1-benzyl-3-cyclopenta-1,3-dien-1-yl-5-phenyl-pyrazole; cyclopenta-1,3-diene CAS Name: cyclopenta-1,3-diene; 3-(1-cyclopenta-1,3-dienyl)-5-phenyl-1-(phenylmethyl)pyrazole; iron(2+) IUPAC Name: 1-benzyl-3-cyclopenta-1,3-dien-1-yl-5-phenylpyrazole; cyclopenta-1,3-diene; iron(2+) Traditional Name: ferrous; 1-benzyl-3-cyclopenta-1,3-dien-1-yl-5-phenyl-pyrazole; cyclopenta-1,3-diene Formula: C26H22FeN2 MolecularWeight: 418.31128

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2=NN(C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2=NN(C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Fe+2]

InChI

InChI=1S/C21H17N2.C5H5.Fe/c1-3-9-17(10-4-1)16-23-21(19-13-5-2-6-14-19)15-20(22-23)18-11-7-8-12-18;1-2-4-5-3-1;/h1-15H,16H2;1-5H;/q2*-1;+2