[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C24H27N3O3/c1-16(2)14-19-10-12-20(13-11-19)24(29)30-15-22(28)25-23-17(3)26-27(18(23)4)21-8-6-5-7-9-21/h5-13,16H,14-15H2,1-4H3,(H,25,28)