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

Systemtic Name: (4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-2-(m-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-5-methyl-2-(m-tolyl)-2-pyrazolin-3-one Formula: C22H19BrN2O3 MolecularWeight: 439.30186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)OC)/C(=N2)C

InChI

InChI=1S/C22H19BrN2O3/c1-5-9-28-21-19(23)12-16(13-20(21)27-4)11-18-15(3)24-25(22(18)26)17-8-6-7-14(2)10-17/h1,6-8,10-13H,9H2,2-4H3/b18-11+