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

Systemtic Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-(1-tert-butyl-3-p-phenetyl-pyrazol-4-yl)acetonitrile Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2CC#N)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2CC#N)C(C)(C)C

InChI

InChI=1S/C17H21N3O/c1-5-21-15-8-6-13(7-9-15)16-14(10-11-18)12-20(19-16)17(2,3)4/h6-9,12H,5,10H2,1-4H3