2-(3-butyl-5-tert-butyl-5-oxidanyl-4H-pyrazol-1-yl)-2-oxidanylidene-N-phenethyl-ethanamide

Systemtic Name: 2-(3-butyl-5-tert-butyl-5-oxidanyl-4H-pyrazol-1-yl)-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-(3-butyl-5-tert-butyl-5-hydroxy-4H-pyrazol-1-yl)-2-oxo-N-phenethyl-acetamide CAS Name: 2-(3-butyl-5-tert-butyl-5-hydroxy-4H-pyrazol-1-yl)-2-oxo-N-phenethylacetamide IUPAC Name: 2-(3-butyl-5-tert-butyl-5-hydroxy-4H-pyrazol-1-yl)-2-oxo-N-phenethylacetamide Traditional Name: 2-(3-butyl-5-tert-butyl-5-hydroxy-2-pyrazolin-1-yl)-2-keto-N-phenethyl-acetamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(C)(C)C)O)C(=O)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN(C(C1)(C(C)(C)C)O)C(=O)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O3/c1-5-6-12-17-15-21(27,20(2,3)4)24(23-17)19(26)18(25)22-14-13-16-10-8-7-9-11-16/h7-11,27H,5-6,12-15H2,1-4H3,(H,22,25)