copper (4-methylphenyl)-[5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-1-id-2-yl]methanone

Systemtic Name: copper (4-methylphenyl)-[5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-1-id-2-yl]methanone Openeye Name: copper [5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-1-id-2-yl]-(p-tolyl)methanone CAS Name: copper (4-methylphenyl)-[5-[phenyl(1H-pyrrol-2-yl)methyl]-2-pyrrol-1-idyl]methanone IUPAC Name: copper (4-methylphenyl)-[5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-1-id-2-yl]methanone Traditional Name: cupric [5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-1-id-2-yl]-(p-tolyl)methanone Formula: C46H38CuN4O2 MolecularWeight: 742.36552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C([N-]2)C(C3=CC=CC=C3)C4=CC=CN4.CC1=CC=C(C=C1)C(=O)C2=CC=C([N-]2)C(C3=CC=CC=C3)C4=CC=CN4.[Cu+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C([N-]2)C(C3=CC=CC=C3)C4=CC=CN4.CC1=CC=C(C=C1)C(=O)C2=CC=C([N-]2)C(C3=CC=CC=C3)C4=CC=CN4.[Cu+2]

InChI

InChI=1S/2C23H20N2O.Cu/c2*1-16-9-11-18(12-10-16)23(26)21-14-13-20(25-21)22(19-8-5-15-24-19)17-6-3-2-4-7-17;/h2*2-15,22,24H,1H3,(H,25,26);/q;;+2/p-2