4-oxidanyl-1-phenyl-N'-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-yl)carbonyl]pyrazole-3-carbohydrazide

Systemtic Name: 4-oxidanyl-1-phenyl-N'-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-yl)carbonyl]pyrazole-3-carbohydrazide Openeye Name: 4-hydroxy-1-phenyl-N'-(3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carbonyl)pyrazole-3-carbohydrazide CAS Name: 4-hydroxy-N'-[oxo-(3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-yl)methyl]-1-phenyl-3-pyrazolecarbohydrazide IUPAC Name: 4-hydroxy-1-phenyl-N'-(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)pyrazole-3-carbohydrazide Traditional Name: 4-hydroxy-N'-(4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbonyl)-1-phenyl-pyrazole-3-carbohydrazide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NNC(=O)C3=NN(C=C3O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NNC(=O)C3=NN(C=C3O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O5/c1-12-17-14(27)9-22(2,3)10-16(17)31-19(12)21(30)24-23-20(29)18-15(28)11-26(25-18)13-7-5-4-6-8-13/h4-8,11,28H,9-10H2,1-3H3,(H,23,29)(H,24,30)