cyclopentane; [6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazin-4-yl]-phenyl-methanone; iron(2+)

Systemtic Name: cyclopentane; [6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazin-4-yl]-phenyl-methanone; iron(2+) Openeye Name: diferrous; cyclopentane; [6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazin-4-yl]-phenyl-methanone CAS Name: cyclopentane; [6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-4-pyridazinyl]-phenylmethanone; iron(2+) IUPAC Name: cyclopentane; [6-cyclopentyl-5-(cyclopentylmethyl)-3-phenylpyridazin-4-yl]-phenylmethanone; iron(2+) Traditional Name: diferrous; cyclopentane; [6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazin-4-yl]-phenyl-methanone Formula: C38H30Fe2N2O+4 MolecularWeight: 642.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C(=C2C(=O)C3=CC=CC=C3)C[C]4[CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C(=C2C(=O)C3=CC=CC=C3)C[C]4[CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C28H20N2O.2C5H5.2Fe/c31-28(23-17-5-2-6-18-23)25-24(19-20-11-7-8-12-20)26(21-15-9-10-16-21)29-30-27(25)22-13-3-1-4-14-22;2*1-2-4-5-3-1;;/h1-18H,19H2;2*1-5H;;/q;;;2*+2