cyclopentane; 3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole; iron(2+) Openeye Name: ferrous; cyclopentane; 3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole CAS Name: cyclopentane; 3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydro-2H-benz[g]indazole Formula: C22H22FeN2O+2 MolecularWeight: 386.26788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCC3C2=NNC3[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC=CC2=C1CCC3C2=NNC3[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H17N2O.C5H5.Fe/c1-20-15-8-4-7-13-12(15)9-10-14-16(18-19-17(13)14)11-5-2-3-6-11;1-2-4-5-3-1;/h2-8,14,16,18H,9-10H2,1H3;1-5H;/q;;+2