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

Systemtic Name: cyclopentane; (E)-1-cyclopentyl-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one CAS Name: cyclopentane; (E)-1-cyclopentyl-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)-2-propen-1-one; iron(2+) IUPAC Name: cyclopentane; (E)-1-cyclopentyl-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Formula: C22H19FeN3O+2 MolecularWeight: 397.25076

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C17H14N3O.C5H5.Fe/c21-17(15-8-4-5-9-15)16(11-20-13-18-12-19-20)10-14-6-2-1-3-7-14;1-2-4-5-3-1;/h1-10,12-13H,11H2;1-5H;/q;;+2/b16-10+;;