cyclopentane; (E)-1-cyclopentyl-3-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one; iron(2+)

Systemtic Name: cyclopentane; (E)-1-cyclopentyl-3-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one CAS Name: cyclopentane; (E)-1-cyclopentyl-3-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-2-propen-1-one; iron(2+) IUPAC Name: cyclopentane; (E)-1-cyclopentyl-3-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Formula: C23H21FeN3O+2 MolecularWeight: 411.27734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(CN2C=NC=N2)C(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\CN2C=NC=N2)/C(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H16N3O.C5H5.Fe/c1-14-6-8-15(9-7-14)10-17(11-21-13-19-12-20-21)18(22)16-4-2-3-5-16;1-2-4-5-3-1;/h2-10,12-13H,11H2,1H3;1-5H;/q;;+2/b17-10+;;