N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide Formula: C16H15BrIN5O MolecularWeight: 500.13167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C=NN3)I)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C=NN3)I)C)Br

InChI

InChI=1S/C16H15BrIN5O/c1-9-14(17)10(2)23(22-9)8-11-4-3-5-12(6-11)20-16(24)15-13(18)7-19-21-15/h3-7H,8H2,1-2H3,(H,19,21)(H,20,24)