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

Systemtic Name: tert-butyl 2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[(4-fluorophenyl)carbamoyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[(4-fluoroanilino)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-fluorophenyl)carbamoyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)carbamoyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29FN4O4 MolecularWeight: 420.477763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN4O4/c1-21(2,3)30-20(29)26-10-4-5-17(26)18(27)24-11-13-25(14-12-24)19(28)23-16-8-6-15(22)7-9-16/h6-9,17H,4-5,10-14H2,1-3H3,(H,23,28)