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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CC#N)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CC#N)C(C)(C)C

InChI

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