tert-butyl 4-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-fluorophenyl)methyl]-4-methyl-thiazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-fluorophenyl)methyl]-4-methyl-5-thiazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-fluorobenzyl)-4-methyl-thiazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26FN3O3S/c1-14-18(29-17(23-14)13-15-5-7-16(22)8-6-15)19(26)24-9-11-25(12-10-24)20(27)28-21(2,3)4/h5-8H,9-13H2,1-4H3