copper 5-methyl-4-(N-naphthalen-1-yl-C-phenyl-carbonimidoyl)-2-phenyl-pyrazol-3-olate

Systemtic Name: copper 5-methyl-4-(N-naphthalen-1-yl-C-phenyl-carbonimidoyl)-2-phenyl-pyrazol-3-olate Openeye Name: copper 5-methyl-4-[N-(1-naphthyl)-C-phenyl-carbonimidoyl]-2-phenyl-pyrazol-3-olate CAS Name: copper 5-methyl-4-[1-naphthalenylimino(phenyl)methyl]-2-phenyl-3-pyrazololate IUPAC Name: copper 5-methyl-4-(N-naphthalen-1-yl-C-phenylcarbonimidoyl)-2-phenylpyrazol-3-olate Traditional Name: cupric 5-methyl-4-[N-(1-naphthyl)-C-phenyl-carbonimidoyl]-2-phenyl-pyrazol-3-olate Formula: C54H40CuN6O2 MolecularWeight: 868.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4)[O-])C5=CC=CC=C5.CC1=NN(C(=C1C(=NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4)[O-])C5=CC=CC=C5.[Cu+2]

Isomeric SMILES

CC1=NN(C(=C1C(=NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4)[O-])C5=CC=CC=C5.CC1=NN(C(=C1C(=NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4)[O-])C5=CC=CC=C5.[Cu+2]

InChI

InChI=1S/2C27H21N3O.Cu/c2*1-19-25(27(31)30(29-19)22-15-6-3-7-16-22)26(21-12-4-2-5-13-21)28-24-18-10-14-20-11-8-9-17-23(20)24;/h2*2-18,31H,1H3;/q;;+2/p-2