(4Z)-4-[bromanyl-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[bromanyl-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[bromo-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[bromo-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[bromo-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[bromo-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H17BrN4O2 MolecularWeight: 437.28928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1/C(=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)/Br)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O2/c1-13-17(20(27)25(23-13)15-9-5-3-6-10-15)19(22)18-14(2)24-26(21(18)28)16-11-7-4-8-12-16/h3-12,17H,1-2H3/b19-18-/t17-/m0/s1