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

Systemtic Name: methyl 3-[5-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]furan-2-yl]benzoate Openeye Name: methyl 3-[5-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-furyl]benzoate CAS Name: 3-[5-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-furyl]benzoic acid methyl ester Formula: C33H28N4O5 MolecularWeight: 560.59922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(O3)C4=CC(=CC=C4)C(=O)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(O3)C4=CC(=CC=C4)C(=O)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C33H28N4O5/c1-20-28(31(38)36(34-20)24-13-6-4-7-14-24)30(29-21(2)35-37(32(29)39)25-15-8-5-9-16-25)27-18-17-26(42-27)22-11-10-12-23(19-22)33(40)41-3/h4-19,30,34-35H,1-3H3