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

Systemtic Name: 2-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C18H15N3 MolecularWeight: 273.3318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3/c1-14-6-5-7-15(12-14)18-16(10-11-19)13-21(20-18)17-8-3-2-4-9-17/h2-9,12-13H,10H2,1H3