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

Systemtic Name: (4E)-2-(3-chloranyl-2-methyl-phenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3-chloro-2-methyl-phenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-chloro-2-methylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3-chloro-2-methylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-chloro-2-methyl-phenyl)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=C(C(=CC=C3)Cl)C)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=C(C(=CC=C3)Cl)C)C)OCC#C

InChI

InChI=1S/C23H21ClN2O3/c1-5-12-29-21-11-10-17(14-22(21)28-6-2)13-18-16(4)25-26(23(18)27)20-9-7-8-19(24)15(20)3/h1,7-11,13-14H,6,12H2,2-4H3/b18-13+