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

Systemtic Name: [2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] ester Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H24N4O3/c1-18-13-20(3)24(14-19(18)2)25-15-26(32(31-25)23-7-5-4-6-8-23)30-27(33)17-35-28(34)22-11-9-21(16-29)10-12-22/h4-15H,17H2,1-3H3,(H,30,33)