(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-5-methyl-2-(m-tolyl)pyrazol-3-one CAS Name: (4E)-4-[[5-(4-bromophenyl)-2-furanyl]methylidene]-5-methyl-2-(3-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-5-methyl-2-(m-tolyl)-2-pyrazolin-3-one Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Br)/C(=N2)C

InChI

InChI=1S/C22H17BrN2O2/c1-14-4-3-5-18(12-14)25-22(26)20(15(2)24-25)13-19-10-11-21(27-19)16-6-8-17(23)9-7-16/h3-13H,1-2H3/b20-13+