[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 1-cyclopropylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 1-cyclopropylcarbonylpiperidine-4-carboxylate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate CAS Name: 1-[cyclopropyl(oxo)methyl]-4-piperidinecarboxylic 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] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate Traditional Name: 1-(cyclopropanecarbonyl)isonipecotic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4/c1-25(2,3)20-15-21(29(27-20)19-7-5-4-6-8-19)26-22(30)16-33-24(32)18-11-13-28(14-12-18)23(31)17-9-10-17/h4-8,15,17-18H,9-14,16H2,1-3H3,(H,26,30)