ethyl 2-[5-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-5-bromanyl-benzoate

Systemtic Name: ethyl 2-[5-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-5-bromanyl-benzoate Openeye Name: ethyl 2-[5-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-furyl]-5-bromo-benzoate CAS Name: 2-[5-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-furanyl]-5-bromobenzoic acid ethyl ester IUPAC Name: ethyl 2-[5-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-5-bromobenzoate Traditional Name: 2-[5-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-furyl]-5-bromo-benzoic acid ethyl ester Formula: C34H29BrN4O5 MolecularWeight: 653.52186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H29BrN4O5/c1-4-43-34(42)26-19-22(35)15-16-25(26)27-17-18-28(44-27)31(29-20(2)36-38(32(29)40)23-11-7-5-8-12-23)30-21(3)37-39(33(30)41)24-13-9-6-10-14-24/h5-19,31,36-37H,4H2,1-3H3