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

Systemtic Name: 2-[1-tert-butyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-tert-butyl-3-(4-isopropylphenyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[1-tert-butyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-tert-butyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-(1-tert-butyl-3-p-cumenyl-pyrazol-4-yl)acetonitrile Formula: C18H23N3 MolecularWeight: 281.39532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3/c1-13(2)14-6-8-15(9-7-14)17-16(10-11-19)12-21(20-17)18(3,4)5/h6-9,12-13H,10H2,1-5H3