cyclopenta-1,3-diene; 1-(5-cyclopenta-1,3-dien-1-yl-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)ethanone; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-(5-cyclopenta-1,3-dien-1-yl-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)ethanone; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-[5-cyclopenta-1,3-dien-1-yl-3-(3-pyridyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: cyclopenta-1,3-diene; 1-[5-(1-cyclopenta-1,3-dienyl)-3-(3-pyridinyl)-3,4-dihydropyrazol-2-yl]ethanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-(5-cyclopenta-1,3-dien-1-yl-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)ethanone; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-[3-cyclopenta-1,3-dien-1-yl-5-(3-pyridyl)-2-pyrazolin-1-yl]ethanone Formula: C20H19FeN3O MolecularWeight: 373.22936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C[CH-]2)C3=CN=CC=C3.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C[CH-]2)C3=CN=CC=C3.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C15H14N3O.C5H5.Fe/c1-11(19)18-15(13-7-4-8-16-10-13)9-14(17-18)12-5-2-3-6-12;1-2-4-5-3-1;/h2-8,10,15H,9H2,1H3;1-5H;/q2*-1;+2