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

Systemtic Name: cyclopentane; ethyl 1-(cyclopentylmethyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 1-(cyclopentylmethyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: cyclopentane; 1-(cyclopentylmethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 1-(cyclopentylmethyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C27H28FFeN3O3+2 MolecularWeight: 517.372923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H23FN3O3.C5H5.Fe/c1-2-29-22(28)17-14-26(13-15-5-3-4-6-15)19-12-20(25-9-7-24-8-10-25)18(23)11-16(19)21(17)27;1-2-4-5-3-1;/h3-6,11-12,14,24H,2,7-10,13H2,1H3;1-5H;/q;;+2