2-[4-[[5-(bromomethyl)-3-butyl-1-methyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[5-(bromomethyl)-3-butyl-1-methyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(bromomethyl)-3-butyl-1-methyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[5-(bromomethyl)-3-butyl-1-methyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(bromomethyl)-3-butyl-1-methylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-(bromomethyl)-3-butyl-1-methyl-pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C23H24BrN3 MolecularWeight: 422.36076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CBr)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CBr)C

InChI

InChI=1S/C23H24BrN3/c1-3-4-9-22-21(23(15-24)27(2)26-22)14-17-10-12-18(13-11-17)20-8-6-5-7-19(20)16-25/h5-8,10-13H,3-4,9,14-15H2,1-2H3