3-tert-butyl-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-tert-butyl-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 3-tert-butyl-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 3-tert-butyl-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-tert-butyl-1-phenylpyrazole-4-carbaldehyde Traditional Name: 3-tert-butyl-1-phenyl-pyrazole-4-carbaldehyde Formula: C14H16N2O MolecularWeight: 228.28964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O/c1-14(2,3)13-11(10-17)9-16(15-13)12-7-5-4-6-8-12/h4-10H,1-3H3