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

Systemtic Name: [2-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C34H27BrN4O4 MolecularWeight: 635.50658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br)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=CC=C3OC(=O)C4=CC=C(C=C4)Br)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H27BrN4O4/c1-21-29(32(40)38(36-21)25-11-5-3-6-12-25)31(30-22(2)37-39(33(30)41)26-13-7-4-8-14-26)27-15-9-10-16-28(27)43-34(42)23-17-19-24(35)20-18-23/h3-20,31,36-37H,1-2H3