[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C25H29N3O3/c1-17(2)18-11-13-19(14-12-18)24(30)31-16-23(29)26-22-15-21(25(3,4)5)27-28(22)20-9-7-6-8-10-20/h6-15,17H,16H2,1-5H3,(H,26,29)