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

Systemtic Name: cyclopentane; 1-[5-cyclopentyl-3-(10-methylphenothiazin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone; iron(2+) Openeye Name: ferrous; cyclopentane; 1-[5-cyclopentyl-3-(10-methylphenothiazin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: cyclopentane; 1-[5-cyclopentyl-3-(10-methyl-3-phenothiazinyl)-3,4-dihydropyrazol-2-yl]ethanone; iron(2+) IUPAC Name: cyclopentane; 1-[5-cyclopentyl-3-(10-methylphenothiazin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone; iron(2+) Traditional Name: ferrous; cyclopentane; 1-[3-cyclopentyl-5-(10-methylphenothiazin-3-yl)-2-pyrazolin-1-yl]ethanone Formula: C28H25FeN3OS+2 MolecularWeight: 507.4276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)[C]2[CH][CH][CH][CH]2)C3=CC4=C(C=C3)N(C5=CC=CC=C5S4)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(=O)N1C(CC(=N1)[C]2[CH][CH][CH][CH]2)C3=CC4=C(C=C3)N(C5=CC=CC=C5S4)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C23H20N3OS.C5H5.Fe/c1-15(27)26-21(14-18(24-26)16-7-3-4-8-16)17-11-12-20-23(13-17)28-22-10-6-5-9-19(22)25(20)2;1-2-4-5-3-1;/h3-13,21H,14H2,1-2H3;1-5H;/q;;+2