cyclopentane; 3-cyclopentyl-1-morpholin-4-yl-9,10-dihydrophenanthrene-2-carbonitrile; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-1-morpholin-4-yl-9,10-dihydrophenanthrene-2-carbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 3-cyclopentyl-1-morpholino-9,10-dihydrophenanthrene-2-carbonitrile CAS Name: cyclopentane; 3-cyclopentyl-1-(4-morpholinyl)-9,10-dihydrophenanthrene-2-carbonitrile; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-1-morpholin-4-yl-9,10-dihydrophenanthrene-2-carbonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-1-morpholino-9,10-dihydrophenanthrene-2-carbonitrile Formula: C29H26FeN2O+2 MolecularWeight: 474.37454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(C=C2C3=CC=CC=C31)[C]4[CH][CH][CH][CH]4)C#N)N5CCOCC5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1CC2=C(C(=C(C=C2C3=CC=CC=C31)[C]4[CH][CH][CH][CH]4)C#N)N5CCOCC5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C24H21N2O.C5H5.Fe/c25-16-23-21(17-5-1-2-6-17)15-22-19-8-4-3-7-18(19)9-10-20(22)24(23)26-11-13-27-14-12-26;1-2-4-5-3-1;/h1-8,15H,9-14H2;1-5H;/q;;+2