3-hexyl-1-phenyl-pyrazole

Systemtic Name: 3-hexyl-1-phenyl-pyrazole Openeye Name: 3-hexyl-1-phenyl-pyrazole CAS Name: 3-hexyl-1-phenylpyrazole IUPAC Name: 3-hexyl-1-phenylpyrazole Traditional Name: 3-hexyl-1-phenyl-pyrazole Formula: C15H20N2 MolecularWeight: 228.3327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NN(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2/c1-2-3-4-6-9-14-12-13-17(16-14)15-10-7-5-8-11-15/h5,7-8,10-13H,2-4,6,9H2,1H3