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

Systemtic Name: [2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] benzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [2-keto-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3/c1-18-14-20(3)23(15-19(18)2)24-16-25(30(29-24)22-12-8-5-9-13-22)28-26(31)17-33-27(32)21-10-6-4-7-11-21/h4-16H,17H2,1-3H3,(H,28,31)