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

Systemtic Name: 4-[[5-(4-bromophenyl)furan-2-yl]-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[5-(4-bromophenyl)-2-furyl]-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[5-(4-bromophenyl)-2-furanyl]-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[5-(4-bromophenyl)furan-2-yl]-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[5-(4-bromophenyl)-2-furyl]-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C33H29BrN4O3 MolecularWeight: 609.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(O3)C4=CC=C(C=C4)Br)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(O3)C4=CC=C(C=C4)Br)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C33H29BrN4O3/c1-21-29(32(39)37(35(21)3)25-11-7-5-8-12-25)31(28-20-19-27(41-28)23-15-17-24(34)18-16-23)30-22(2)36(4)38(33(30)40)26-13-9-6-10-14-26/h5-20,31H,1-4H3