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

Systemtic Name: cyclopentane; (Z)-3-cyclopentyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (Z)-3-cyclopentyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one CAS Name: cyclopentane; (Z)-3-cyclopentyl-1-phenyl-2-(1,2,4-triazol-1-yl)-2-propen-1-one; iron(2+) IUPAC Name: cyclopentane; (Z)-3-cyclopentyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (Z)-3-cyclopentyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Formula: C21H17FeN3O+2 MolecularWeight: 383.22418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=C[C]2[CH][CH][CH][CH]2)N3C=NC=N3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/[C]2[CH][CH][CH][CH]2)/N3C=NC=N3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H12N3O.C5H5.Fe/c20-16(14-8-2-1-3-9-14)15(19-12-17-11-18-19)10-13-6-4-5-7-13;1-2-4-5-3-1;/h1-12H;1-5H;/q;;+2