(4E)-4-[[3-bromanyl-4-[(2S)-butan-2-yl]oxy-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[3-bromanyl-4-[(2S)-butan-2-yl]oxy-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-bromo-4-[(1S)-1-methylpropoxy]phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-bromo-4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-bromo-4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-bromo-4-[(1S)-1-methylpropoxy]benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C21H21BrN2O2/c1-4-14(2)26-20-11-10-16(13-19(20)22)12-18-15(3)23-24(21(18)25)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/b18-12+/t14-/m0/s1