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

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C35H30N4O5 MolecularWeight: 586.6365

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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)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(C=C3)OC(=O)C4=CC=CC=C4)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C35H30N4O5/c1-22-30(33(40)38(36-22)26-15-9-5-10-16-26)32(31-23(2)37-39(34(31)41)27-17-11-6-12-18-27)25-19-20-28(29(21-25)43-3)44-35(42)24-13-7-4-8-14-24/h4-21,32,36-37H,1-3H3