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

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C34H28N4O4 MolecularWeight: 556.61052

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H28N4O4/c1-22-29(32(39)37(35-22)26-14-8-4-9-15-26)31(30-23(2)36-38(33(30)40)27-16-10-5-11-17-27)24-18-20-28(21-19-24)42-34(41)25-12-6-3-7-13-25/h3-21,31,35-36H,1-2H3