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

Systemtic Name: 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: 2-phenyl-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C14H17N3 MolecularWeight: 227.30488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3/c1-11-9-14(2,3)17(16-11)13(10-15)12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3