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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(C)(C)C)O)C(=O)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=NN(C(C1)(C(C)(C)C)O)C(=O)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O3/c1-15(2)13-17-14-21(27,20(3,4)5)24(23-17)19(26)18(25)22-12-11-16-9-7-6-8-10-16/h6-10,15,27H,11-14H2,1-5H3,(H,22,25)