tert-butyl 3-[[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O5/c1-21(2,3)31-20(30)25-11-7-8-14(12-25)18(28)22-23-19(29)17-16(27)13-26(24-17)15-9-5-4-6-10-15/h4-6,9-10,13-14,27H,7-8,11-12H2,1-3H3,(H,22,28)(H,23,29)