cyclopentane; 3-cyclopentyl-5-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-5-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole; iron(2+) Openeye Name: ferrous; 1-benzyl-3-cyclopentyl-5-(4-methoxyphenyl)pyrazole; cyclopentane CAS Name: cyclopentane; 3-cyclopentyl-5-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole; iron(2+) IUPAC Name: 1-benzyl-3-cyclopentyl-5-(4-methoxyphenyl)pyrazole; cyclopentane; iron(2+) Traditional Name: ferrous; 1-benzyl-3-cyclopentyl-5-(4-methoxyphenyl)pyrazole; cyclopentane Formula: C27H24FeN2O+2 MolecularWeight: 448.33726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NN2CC3=CC=CC=C3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NN2CC3=CC=CC=C3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H19N2O.C5H5.Fe/c1-25-20-13-11-19(12-14-20)22-15-21(18-9-5-6-10-18)23-24(22)16-17-7-3-2-4-8-17;1-2-4-5-3-1;/h2-15H,16H2,1H3;1-5H;/q;;+2