cyclopentane; ethyl 6-fluoranyl-1-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 6-fluoranyl-1-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: cyclopentane; 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; 6-fluoro-4-keto-1-methyl-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C27H30FFeN3O3+2 MolecularWeight: 519.388803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H20FN3O3.2C5H5.Fe/c1-3-24-17(23)12-10-20(2)14-9-15(21-6-4-19-5-7-21)13(18)8-11(14)16(12)22;2*1-2-4-5-3-1;/h8-10,19H,3-7H2,1-2H3;2*1-5H;/q;;;+2