(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(3-methoxy-4-propargyloxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-4-12-26-19-11-10-16(14-20(19)25-3)13-18-15(2)22-23(21(18)24)17-8-6-5-7-9-17/h1,5-11,13-14H,12H2,2-3H3/b18-13+