N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N4O3/c1-14-17(15(2)25(24-14)16-8-4-3-5-9-16)12-22-23-21(26)20-13-27-18-10-6-7-11-19(18)28-20/h3-12,20H,13H2,1-2H3,(H,23,26)/b22-12+