2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanenitrile

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanenitrile Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetonitrile CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetonitrile IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetonitrile Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetonitrile Formula: C13H13N3 MolecularWeight: 211.26242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC#N

InChI

InChI=1S/C13H13N3/c1-10-13(8-9-14)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8H2,1-2H3