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

Systemtic Name: 2-(4-chlorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: 2-(4-chlorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: 2-(4-chlorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: 2-(4-chlorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: 2-(4-chlorophenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C14H16ClN3 MolecularWeight: 261.74994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3/c1-10-8-14(2,3)18(17-10)13(9-16)11-4-6-12(15)7-5-11/h4-7,13H,8H2,1-3H3