(4Z)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-5-tert-butyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-5-tert-butyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(5-bromo-2-methoxy-phenyl)methylene]-5-tert-butyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-5-tert-butyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-5-tert-butyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-(5-bromo-2-methoxy-benzylidene)-5-tert-butyl-2-phenyl-2-pyrazolin-3-one Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C\C2=C(C=CC(=C2)Br)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O2/c1-21(2,3)19-17(13-14-12-15(22)10-11-18(14)26-4)20(25)24(23-19)16-8-6-5-7-9-16/h5-13H,1-4H3/b17-13-