tert-butyl 4-[1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2,4-difluorobenzoyl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29F2N3O4 MolecularWeight: 437.480166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C22H29F2N3O4/c1-22(2,3)31-21(30)27-12-10-26(11-13-27)19(28)15-6-8-25(9-7-15)20(29)17-5-4-16(23)14-18(17)24/h4-5,14-15H,6-13H2,1-3H3