4-[(2-bromanyl-5-oxidanyl-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(2-bromanyl-5-oxidanyl-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(2-bromo-5-hydroxy-phenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2-bromo-5-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2-bromo-5-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2-bromo-5-hydroxy-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H27BrN4O3 MolecularWeight: 559.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)O)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)O)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H27BrN4O3/c1-18-25(28(36)33(31(18)3)20-11-7-5-8-12-20)27(23-17-22(35)15-16-24(23)30)26-19(2)32(4)34(29(26)37)21-13-9-6-10-14-21/h5-17,27,35H,1-4H3