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

Systemtic Name: 2-(3,5-dimethyl-2-phenyl-4H-pyrazol-3-yl)ethanenitrile Openeye Name: 2-(3,5-dimethyl-2-phenyl-4H-pyrazol-3-yl)acetonitrile CAS Name: 2-(3,5-dimethyl-2-phenyl-4H-pyrazol-3-yl)acetonitrile IUPAC Name: 2-(3,5-dimethyl-2-phenyl-4H-pyrazol-3-yl)acetonitrile Traditional Name: 2-(3,5-dimethyl-2-phenyl-2-pyrazolin-3-yl)acetonitrile Formula: C13H15N3 MolecularWeight: 213.2783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3/c1-11-10-13(2,8-9-14)16(15-11)12-6-4-3-5-7-12/h3-7H,8,10H2,1-2H3