1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone; cyclopentane; iron(2+)

Systemtic Name: 1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone; cyclopentane; iron(2+) Openeye Name: ferrous; 1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone; cyclopentane CAS Name: 1-[3-(10-butyl-3-phenothiazinyl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone; cyclopentane; iron(2+) IUPAC Name: 1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone; cyclopentane; iron(2+) Traditional Name: ferrous; 1-[5-(10-butylphenothiazin-3-yl)-3-cyclopentyl-2-pyrazolin-1-yl]ethanone; cyclopentane Formula: C31H31FeN3OS+2 MolecularWeight: 549.50734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3CC(=NN3C(=O)C)[C]4[CH][CH][CH][CH]4)SC5=CC=CC=C51.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3CC(=NN3C(=O)C)[C]4[CH][CH][CH][CH]4)SC5=CC=CC=C51.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C26H26N3OS.C5H5.Fe/c1-3-4-15-28-22-11-7-8-12-25(22)31-26-16-20(13-14-23(26)28)24-17-21(19-9-5-6-10-19)27-29(24)18(2)30;1-2-4-5-3-1;/h5-14,16,24H,3-4,15,17H2,1-2H3;1-5H;/q;;+2