2-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(4-ethylphenyl)-1-methyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]acetonitrile Formula: C14H15N3 MolecularWeight: 225.289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CC#N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CC#N)C

InChI

InChI=1S/C14H15N3/c1-3-11-4-6-12(7-5-11)14-13(8-9-15)10-17(2)16-14/h4-7,10H,3,8H2,1-2H3