2-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[1-tert-butyl-3-(3,4-dimethylphenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acetonitrile Formula: C17H21N3 MolecularWeight: 267.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CC#N)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CC#N)C(C)(C)C)C

InChI

InChI=1S/C17H21N3/c1-12-6-7-14(10-13(12)2)16-15(8-9-18)11-20(19-16)17(3,4)5/h6-7,10-11H,8H2,1-5H3