tert-butyl 4-[4-(5-nitropyridin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-nitropyridin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-nitro-2-pyridyl)piperazin-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-nitropyridin-2-yl)piperazin-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(5-nitro-2-pyridyl)piperazino]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H34N6O5 MolecularWeight: 474.55326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2)N3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2)N3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H34N6O5/c1-23(2,3)34-22(31)28-16-18(14-19(28)21(30)27-8-4-5-9-27)25-10-12-26(13-11-25)20-7-6-17(15-24-20)29(32)33/h6-7,15,18-19H,4-5,8-14,16H2,1-3H3