tert-butyl 4-[2-(4-fluorophenyl)-4-methyl-5-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)-4-methyl-5-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-fluorophenyl)-4-methyl-5-oxo-piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-fluorophenyl)-4-methyl-5-oxo-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-fluorophenyl)-4-methyl-5-oxopiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-fluorophenyl)-5-keto-4-methyl-piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30FN3O3 MolecularWeight: 391.479603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2CC(=O)N(CC2C3=CC=C(C=C3)F)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CC(=O)N(CC2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H30FN3O3/c1-21(2,3)28-20(27)24-11-9-17(10-12-24)25-14-19(26)23(4)13-18(25)15-5-7-16(22)8-6-15/h5-8,17-18H,9-14H2,1-4H3