N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)octanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)octanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)octanamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)octanamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)octanamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)caprylamide Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C21H31N3O/c1-5-6-7-8-12-15-20(25)22-19-16-18(21(2,3)4)23-24(19)17-13-10-9-11-14-17/h9-11,13-14,16H,5-8,12,15H2,1-4H3,(H,22,25)