(3S)-6-tert-butyl-N'-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3S)-6-tert-butyl-N'-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3S)-6-tert-butyl-N'-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3S)-6-tert-butyl-N'-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3S)-6-tert-butyl-N'-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3S)-6-tert-butyl-N'-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNNC(=O)C2COC3=C(O2)C=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CNNC(=O)[C@@H]2COC3=C(O2)C=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-15-18(23(30)28(27-15)17-8-6-5-7-9-17)13-25-26-22(29)21-14-31-19-11-10-16(24(2,3)4)12-20(19)32-21/h5-13,21,25H,14H2,1-4H3,(H,26,29)/t21-/m0/s1