tert-butyl 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN3O4/c1-21(2,3)29-20(28)25-10-4-5-17(25)19(27)24-13-11-23(12-14-24)18(26)15-6-8-16(22)9-7-15/h6-9,17H,4-5,10-14H2,1-3H3