4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(E)-(3-iodanylphenyl)methylideneamino]benzamide

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(E)-(3-iodanylphenyl)methylideneamino]benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(E)-(3-iodophenyl)methyleneamino]benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(E)-(3-iodophenyl)methylideneamino]benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(3-iodophenyl)methylideneamino]benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(E)-(3-iodobenzylidene)amino]benzamide Formula: C20H18BrIN4O MolecularWeight: 537.19159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)I)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=CC=C3)I)C)Br

InChI

InChI=1S/C20H18BrIN4O/c1-13-19(21)14(2)26(25-13)12-15-6-8-17(9-7-15)20(27)24-23-11-16-4-3-5-18(22)10-16/h3-11H,12H2,1-2H3,(H,24,27)/b23-11+