tert-butyl 2-[[(1-pyridin-2-ylpiperidin-4-yl)carbonylamino]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[(1-pyridin-2-ylpiperidin-4-yl)carbonylamino]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[[1-(2-pyridyl)piperidine-4-carbonyl]amino]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[oxo-[1-(2-pyridinyl)-4-piperidinyl]methyl]hydrazo]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(1-pyridin-2-ylpiperidine-4-carbonyl)amino]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[1-(2-pyridyl)isonipecotoyl]amino]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)C2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)C2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H31N5O4/c1-21(2,3)30-20(29)26-12-6-7-16(26)19(28)24-23-18(27)15-9-13-25(14-10-15)17-8-4-5-11-22-17/h4-5,8,11,15-16H,6-7,9-10,12-14H2,1-3H3,(H,23,27)(H,24,28)