cyclopentane; iron(2+); methyl 3-[3-[(7-chloranylquinolin-4-yl)amino]propyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate

Systemtic Name: cyclopentane; iron(2+); methyl 3-[3-[(7-chloranylquinolin-4-yl)amino]propyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate Openeye Name: ferrous; cyclopentane; methyl 3-[3-[(7-chloro-4-quinolyl)amino]propyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate CAS Name: 3-[3-[(7-chloro-4-quinolinyl)amino]propyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylic acid methyl ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 3-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate Traditional Name: ferrous; 1-[3-[(7-chloro-4-quinolyl)amino]propyl]-5-cyclopentyl-4-phenyl-2-imidazoline-4-carboxylic acid methyl ester; cyclopentane Formula: C33H31ClFeN4O2+2 MolecularWeight: 606.92284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(N(C=N1)CCCNC2=C3C=CC(=CC3=NC=C2)Cl)[C]4[CH][CH][CH][CH]4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC(=O)C1(C(N(C=N1)CCCNC2=C3C=CC(=CC3=NC=C2)Cl)[C]4[CH][CH][CH][CH]4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C28H26ClN4O2.C5H5.Fe/c1-35-27(34)28(21-10-3-2-4-11-21)26(20-8-5-6-9-20)33(19-32-28)17-7-15-30-24-14-16-31-25-18-22(29)12-13-23(24)25;1-2-4-5-3-1;/h2-6,8-14,16,18-19,26H,7,15,17H2,1H3,(H,30,31);1-5H;/q;;+2