tert-butyl 2-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-cyanopyridin-2-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C20H27N5O3/c1-20(2,3)28-19(27)25-8-4-5-16(25)18(26)24-11-9-23(10-12-24)17-13-15(14-21)6-7-22-17/h6-7,13,16H,4-5,8-12H2,1-3H3