cyclopentane; 3-cyclopentyl-4-(cyclopentylmethyl)-6,7-dihydro-5H-cinnolin-8-one; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-4-(cyclopentylmethyl)-6,7-dihydro-5H-cinnolin-8-one; iron(2+) Openeye Name: diferrous; cyclopentane; 3-cyclopentyl-4-(cyclopentylmethyl)-6,7-dihydro-5H-cinnolin-8-one CAS Name: cyclopentane; 3-cyclopentyl-4-(cyclopentylmethyl)-6,7-dihydro-5H-cinnolin-8-one; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-4-(cyclopentylmethyl)-6,7-dihydro-5H-cinnolin-8-one; iron(2+) Traditional Name: diferrous; cyclopentane; 3-cyclopentyl-4-(cyclopentylmethyl)-6,7-dihydro-5H-cinnolin-8-one Formula: C29H26Fe2N2O+4 MolecularWeight: 530.21954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NN=C2C(=O)C1)[C]3[CH][CH][CH][CH]3)C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C1CC2=C(C(=NN=C2C(=O)C1)[C]3[CH][CH][CH][CH]3)C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C19H16N2O.2C5H5.2Fe/c22-17-11-5-10-15-16(12-13-6-1-2-7-13)18(20-21-19(15)17)14-8-3-4-9-14;2*1-2-4-5-3-1;;/h1-4,6-9H,5,10-12H2;2*1-5H;;/q;;;2*+2