[2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 3-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 3-methylbenzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC(=C(C=C4C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC(=C(C=C4C)C)C

InChI

InChI=1S/C28H27N3O3/c1-18-9-8-10-22(13-18)28(33)34-17-27(32)29-26-16-25(24-15-20(3)19(2)14-21(24)4)30-31(26)23-11-6-5-7-12-23/h5-16H,17H2,1-4H3,(H,29,32)