2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzonitrile CAS Name: 2-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzonitrile IUPAC Name: 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzonitrile Formula: C13H12BrN3 MolecularWeight: 290.15848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C#N)C)Br

InChI

InChI=1S/C13H12BrN3/c1-9-13(14)10(2)17(16-9)8-12-6-4-3-5-11(12)7-15/h3-6H,8H2,1-2H3