[1-(4-methylphenyl)carbonyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl] 4-methylbenzoate

Systemtic Name: [1-(4-methylphenyl)carbonyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [1-(4-methylbenzoyl)-5-oxo-2-phenyl-pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(4-methylphenyl)-oxomethyl]-5-oxo-2-phenyl-3-pyrazolyl] ester IUPAC Name: [1-(4-methylbenzoyl)-5-oxo-2-phenylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-keto-2-phenyl-1-p-toluoyl-3-pyrazolin-3-yl) ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=O)C=C(N2C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=O)C=C(N2C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H20N2O4/c1-17-8-12-19(13-9-17)24(29)27-22(28)16-23(26(27)21-6-4-3-5-7-21)31-25(30)20-14-10-18(2)11-15-20/h3-16H,1-2H3