2-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C19H17N3 MolecularWeight: 287.35838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C19H17N3/c1-14-8-9-16(12-15(14)2)19-17(10-11-20)13-22(21-19)18-6-4-3-5-7-18/h3-9,12-13H,10H2,1-2H3