5-tert-butyl-2-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-2-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-(3-oxo-1H-2-benzofuran-5-yl)pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-(3-ketophthalan-5-yl)-2-methyl-pyrazole-3-carboxamide Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(COC3=O)C=C2)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(COC3=O)C=C2)C

InChI

InChI=1S/C17H19N3O3/c1-17(2,3)14-8-13(20(4)19-14)15(21)18-11-6-5-10-9-23-16(22)12(10)7-11/h5-8H,9H2,1-4H3,(H,18,21)