2-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]benzonitrile Formula: C17H12BrN3 MolecularWeight: 338.20128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H12BrN3/c18-16-10-20-21(12-16)11-13-5-7-14(8-6-13)17-4-2-1-3-15(17)9-19/h1-8,10,12H,11H2