3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanamide

Systemtic Name: 3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanamide Openeye Name: 3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]propanamide CAS Name: 3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]propanamide IUPAC Name: 3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]propanamide Traditional Name: 3-[(4Z)-5-keto-3-phenyl-4-veratrylidene-2-pyrazolin-1-yl]propionamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)CCC(=O)N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)CCC(=O)N)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O4/c1-27-17-9-8-14(13-18(17)28-2)12-16-20(15-6-4-3-5-7-15)23-24(21(16)26)11-10-19(22)25/h3-9,12-13H,10-11H2,1-2H3,(H2,22,25)/b16-12-