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

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic 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] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C20H26N4O4/c1-14(25)21-11-10-19(27)28-13-18(26)22-17-12-16(20(2,3)4)23-24(17)15-8-6-5-7-9-15/h5-9,12H,10-11,13H2,1-4H3,(H,21,25)(H,22,26)