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

Systemtic Name: 2-[4-[[5-(bromomethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(bromomethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[5-(bromomethyl)-1-methyl-3-propyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(bromomethyl)-1-methyl-3-propylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-(bromomethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C22H22BrN3 MolecularWeight: 408.33418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CBr)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CBr)C

InChI

InChI=1S/C22H22BrN3/c1-3-6-21-20(22(14-23)26(2)25-21)13-16-9-11-17(12-10-16)19-8-5-4-7-18(19)15-24/h4-5,7-12H,3,6,13-14H2,1-2H3