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

Systemtic Name: methyl 4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]benzoate Openeye Name: methyl 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoate CAS Name: 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoate Traditional Name: 4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]benzoic acid methyl ester Formula: C29H26N4O4 MolecularWeight: 494.54114

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c1-18-24(27(34)32(30-18)22-10-6-4-7-11-22)26(20-14-16-21(17-15-20)29(36)37-3)25-19(2)31-33(28(25)35)23-12-8-5-9-13-23/h4-17,26,30-31H,1-3H3