tert-butyl 3-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-phenyl-2-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-phenyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 3-phenyl-2-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C(=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1C(=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c1-25(2,3)32-24(31)29-14-12-20(19-9-5-4-6-10-19)22(29)23(30)28-17-15-27(16-18-28)21-11-7-8-13-26-21/h4-11,13,20,22H,12,14-18H2,1-3H3