bis(chloranyl)iron; N-cyclohexyl-1-[1-methyl-5-(C-methyl-N-phenyl-carbonimidoyl)pyrrol-2-yl]ethanimine

Systemtic Name: bis(chloranyl)iron; N-cyclohexyl-1-[1-methyl-5-(C-methyl-N-phenyl-carbonimidoyl)pyrrol-2-yl]ethanimine Openeye Name: N-cyclohexyl-1-[1-methyl-5-(C-methyl-N-phenyl-carbonimidoyl)pyrrol-2-yl]ethanimine; dichloroiron CAS Name: N-cyclohexyl-1-[1-methyl-5-(1-phenyliminoethyl)-2-pyrrolyl]ethanimine; dichloroiron IUPAC Name: N-cyclohexyl-1-[1-methyl-5-(C-methyl-N-phenylcarbonimidoyl)pyrrol-2-yl]ethanimine; dichloroiron Traditional Name: cyclohexyl-[1-[1-methyl-5-(C-methyl-N-phenyl-carbonimidoyl)pyrrol-2-yl]ethylidene]amine; dichloroiron Formula: C21H27Cl2FeN3 MolecularWeight: 448.21018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CCCCC1)C2=CC=C(N2C)C(=NC3=CC=CC=C3)C.Cl[Fe]Cl

Isomeric SMILES

CC(=NC1CCCCC1)C2=CC=C(N2C)C(=NC3=CC=CC=C3)C.Cl[Fe]Cl

InChI

InChI=1S/C21H27N3.2ClH.Fe/c1-16(22-18-10-6-4-7-11-18)20-14-15-21(24(20)3)17(2)23-19-12-8-5-9-13-19;;;/h4,6-7,10-11,14-15,19H,5,8-9,12-13H2,1-3H3;2*1H;/q;;;+2/p-2