tert-butyl 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H34N6O3 MolecularWeight: 418.53306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H34N6O3/c1-21(2,3)30-20(29)27-12-4-7-17(27)18(28)22-10-6-11-25-13-15-26(16-14-25)19-23-8-5-9-24-19/h5,8-9,17H,4,6-7,10-16H2,1-3H3,(H,22,28)