tert-butyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N4O4/c1-15-18(16(2)26(23-15)17-9-7-6-8-10-17)19(27)20(28)24-11-13-25(14-12-24)21(29)30-22(3,4)5/h6-10H,11-14H2,1-5H3