3-[3-(4-tert-butylphenyl)-4-methanoyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-tert-butylphenyl)-4-methanoyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-tert-butylphenyl)-4-formyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-tert-butylphenyl)-4-formyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-tert-butylphenyl)-4-formylpyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-tert-butylphenyl)-4-formyl-pyrazol-1-yl]propionitrile Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C=C2C=O)CCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C=C2C=O)CCC#N

InChI

InChI=1S/C17H19N3O/c1-17(2,3)15-7-5-13(6-8-15)16-14(12-21)11-20(19-16)10-4-9-18/h5-8,11-12H,4,10H2,1-3H3