cyclopentane; (Z)-3-cyclopentyl-2-[[(phenylmethyl)amino]methyl]prop-2-enenitrile; iron(2+)

Systemtic Name: cyclopentane; (Z)-3-cyclopentyl-2-[[(phenylmethyl)amino]methyl]prop-2-enenitrile; iron(2+) Openeye Name: ferrous; (Z)-2-[(benzylamino)methyl]-3-cyclopentyl-prop-2-enenitrile; cyclopentane CAS Name: cyclopentane; (Z)-3-cyclopentyl-2-[[(phenylmethyl)amino]methyl]-2-propenenitrile; iron(2+) IUPAC Name: (Z)-2-[(benzylamino)methyl]-3-cyclopentylprop-2-enenitrile; cyclopentane; iron(2+) Traditional Name: ferrous; (Z)-2-[(benzylamino)methyl]-3-cyclopentyl-acrylonitrile; cyclopentane Formula: C21H20FeN2+2 MolecularWeight: 356.2419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(=C[C]2[CH][CH][CH][CH]2)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CNC/C(=C/[C]2[CH][CH][CH][CH]2)/C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H15N2.C5H5.Fe/c17-11-16(10-14-6-4-5-7-14)13-18-12-15-8-2-1-3-9-15;1-2-4-5-3-1;/h1-10,18H,12-13H2;1-5H;/q;;+2